data_PRDCC_900054
# 
_chem_comp.id                                    PRD_900054 
_chem_comp.name                                  
;6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace
 tylamino)-2-deoxy-beta-D-glucopyranose
;
_chem_comp.type                                  saccharide 
_chem_comp.formula                               "C26 H45 N O19" 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.formula_weight                        675.631 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_900054 CAV  C13 C 0 1 N N R -4.218 -4.330  -23.899 -2.873 3.367  -0.212 NAG 1 C1  polymer 1 1 1  ? ? ? 
PRD_900054 CAW  C14 C 0 1 N N R -3.585 -3.126  -23.206 -3.376 1.923  -0.288 NAG 1 C2  polymer 1 1 2  ? ? ? 
PRD_900054 CAX  C15 C 0 1 N N R -3.181 -3.358  -21.783 -2.298 0.984  0.262  NAG 1 C3  polymer 1 1 3  ? ? ? 
PRD_900054 CAY  C16 C 0 1 N N S -4.448 -3.804  -21.177 -1.004 1.191  -0.531 NAG 1 C4  polymer 1 1 4  ? ? ? 
PRD_900054 CAZ  C17 C 0 1 N N R -4.814 -5.071  -21.847 -0.592 2.664  -0.445 NAG 1 C5  polymer 1 1 5  ? ? ? 
PRD_900054 CBA  C18 C 0 1 N N N -5.978 -5.259  -20.957 0.668  2.891  -1.284 NAG 1 C6  polymer 1 1 6  ? ? ? 
PRD_900054 CBB  C19 C 0 1 N N N -2.403 -1.790  -24.784 -5.793 2.096  -0.030 NAG 1 C7  polymer 1 1 7  ? ? ? 
PRD_900054 CBC  C20 C 0 1 N N N -3.738 -1.055  -24.851 -7.049 1.956  0.792  NAG 1 C8  polymer 1 1 8  ? ? ? 
PRD_900054 NBD  N1  N 0 1 N N N -2.393 -2.782  -23.929 -4.597 1.787  0.510  NAG 1 N2  polymer 1 1 9  ? ? ? 
PRD_900054 OBE  O11 O 0 1 N N N -4.738 -3.737  -25.067 -3.851 4.243  -0.775 NAG 1 O1  polymer 1 1 10 ? ? ? 
PRD_900054 OBF  O12 O 0 1 N N N -2.919 -2.080  -21.363 -2.730 -0.371 0.126  NAG 1 O3  polymer 1 1 11 ? ? ? 
PRD_900054 O1   O1  O 0 1 N N N -4.326 -4.119  -19.810 0.030  0.373  0.020  NAG 1 O4  polymer 1 1 12 ? ? ? 
PRD_900054 OBH  O13 O 0 1 N N N -5.261 -4.872  -23.160 -1.651 3.483  -0.943 NAG 1 O5  polymer 1 1 13 ? ? ? 
PRD_900054 OBI  O14 O 0 1 N N N -6.778 -6.303  -21.443 1.114  4.238  -1.117 NAG 1 O6  polymer 1 1 14 ? ? ? 
PRD_900054 OBJ  O15 O 0 1 N N N -1.420 -1.445  -25.433 -5.858 2.486  -1.176 NAG 1 O7  polymer 1 1 15 ? ? ? 
PRD_900054 C1   C1  C 0 1 N N S -5.257 -3.594  -18.927 0.913  -0.184 -0.956 GAL 2 C1  polymer 1 1 16 ? ? ? 
PRD_900054 C2   C2  C 0 1 N N R -4.831 -4.125  -17.576 1.989  -1.016 -0.255 GAL 2 C2  polymer 1 1 17 ? ? ? 
PRD_900054 C3   C3  C 0 1 N N S -5.561 -3.359  -16.480 2.895  -1.659 -1.310 GAL 2 C3  polymer 1 1 18 ? ? ? 
PRD_900054 C4   C4  C 0 1 N N R -5.465 -1.866  -16.686 2.037  -2.500 -2.260 GAL 2 C4  polymer 1 1 19 ? ? ? 
PRD_900054 C5   C5  C 0 1 N N R -5.904 -1.542  -18.088 0.959  -1.610 -2.884 GAL 2 C5  polymer 1 1 20 ? ? ? 
PRD_900054 C6   C6  C 0 1 N N N -5.775 -0.090  -18.357 0.060  -2.456 -3.788 GAL 2 C6  polymer 1 1 21 ? ? ? 
PRD_900054 O2   O2  O 0 1 N N N -5.237 -5.438  -17.515 2.769  -0.171 0.594  GAL 2 O2  polymer 1 1 22 ? ? ? 
PRD_900054 O3   O3  O 0 1 N N N -5.044 -3.655  -15.209 3.858  -2.497 -0.667 GAL 2 O3  polymer 1 1 23 ? ? ? 
PRD_900054 O4   O4  O 0 1 N N N -4.145 -1.459  -16.533 1.417  -3.561 -1.531 GAL 2 O4  polymer 1 1 24 ? ? ? 
PRD_900054 O5   O5  O 0 1 N N N -5.108 -2.224  -19.030 0.172  -1.020 -1.847 GAL 2 O5  polymer 1 1 25 ? ? ? 
PRD_900054 O6   O6  O 0 1 N N N -6.368 0.114   -19.603 -0.873 -1.607 -4.460 GAL 2 O6  polymer 1 1 26 ? ? ? 
PRD_900054 CAA  C7  C 0 1 N N S -4.373 -6.261  -16.732 3.576  0.774  -0.111 FUC 3 C1  polymer 1 1 27 ? ? ? 
PRD_900054 CAB  C8  C 0 1 N N S -5.040 -7.604  -16.500 3.993  1.899  0.840  FUC 3 C2  polymer 1 1 28 ? ? ? 
PRD_900054 CAC  C9  C 0 1 N N R -5.171 -8.372  -17.779 4.845  1.311  1.970  FUC 3 C3  polymer 1 1 29 ? ? ? 
PRD_900054 CAD  C10 C 0 1 N N S -3.784 -8.564  -18.355 6.050  0.587  1.363  FUC 3 C4  polymer 1 1 30 ? ? ? 
PRD_900054 CAE  C11 C 0 1 N N S -3.194 -7.184  -18.551 5.553  -0.487 0.391  FUC 3 C5  polymer 1 1 31 ? ? ? 
PRD_900054 CAF  C12 C 0 1 N N N -1.812 -7.240  -19.159 6.752  -1.175 -0.265 FUC 3 C6  polymer 1 1 32 ? ? ? 
PRD_900054 OAG  O7  O 0 1 N N N -6.326 -7.386  -15.943 2.828  2.515  1.392  FUC 3 O2  polymer 1 1 33 ? ? ? 
PRD_900054 OAH  O8  O 0 1 N N N -5.754 -9.582  -17.510 5.300  2.364  2.823  FUC 3 O3  polymer 1 1 34 ? ? ? 
PRD_900054 OAI  O9  O 0 1 N N N -3.032 -9.339  -17.460 6.867  1.526  0.660  FUC 3 O4  polymer 1 1 35 ? ? ? 
PRD_900054 OAJ  O10 O 0 1 N N N -3.131 -6.482  -17.344 4.743  0.122  -0.616 FUC 3 O5  polymer 1 1 36 ? ? ? 
PRD_900054 CBK  C21 C 0 1 N N S -1.565 -1.762  -21.305 -3.457 -0.865 1.252  FUC 4 C1  polymer 1 1 37 ? ? ? 
PRD_900054 CBL  C22 C 0 1 N N S -1.507 -0.256  -21.073 -3.974 -2.273 0.949  FUC 4 C2  polymer 1 1 38 ? ? ? 
PRD_900054 CBM  C23 C 0 1 N N R -2.054 0.093   -19.700 -2.782 -3.208 0.720  FUC 4 C3  polymer 1 1 39 ? ? ? 
PRD_900054 CBN  C24 C 0 1 N N S -1.381 -0.744  -18.628 -1.877 -3.175 1.955  FUC 4 C4  polymer 1 1 40 ? ? ? 
PRD_900054 CBO  C25 C 0 1 N N S -1.576 -2.194  -18.990 -1.441 -1.731 2.219  FUC 4 C5  polymer 1 1 41 ? ? ? 
PRD_900054 CBP  C26 C 0 1 N N N -1.005 -3.044  -17.883 -0.585 -1.681 3.486  FUC 4 C6  polymer 1 1 42 ? ? ? 
PRD_900054 OBQ  O16 O 0 1 N N N -2.313 0.414   -22.037 -4.788 -2.241 -0.226 FUC 4 O2  polymer 1 1 43 ? ? ? 
PRD_900054 OBR  O17 O 0 1 N N N -1.890 1.463   -19.429 -3.253 -4.540 0.508  FUC 4 O3  polymer 1 1 44 ? ? ? 
PRD_900054 OBS  O18 O 0 1 N N N -0.007 -0.465  -18.580 -2.594 -3.672 3.086  FUC 4 O4  polymer 1 1 45 ? ? ? 
PRD_900054 OBT  O19 O 0 1 N N N -0.914 -2.414  -20.213 -2.597 -0.910 2.393  FUC 4 O5  polymer 1 1 46 ? ? ? 
PRD_900054 HAV  H22 H 0 1 N N N -3.446 -5.078  -24.132 -2.700 3.636  0.830  NAG 1 H1  polymer 1 1 47 ? ? ? 
PRD_900054 HAW  H23 H 0 1 N N N -4.297 -2.288  -23.242 -3.588 1.666  -1.326 NAG 1 H2  polymer 1 1 48 ? ? ? 
PRD_900054 HAX  H24 H 0 1 N N N -2.356 -4.078  -21.673 -2.122 1.207  1.314  NAG 1 H3  polymer 1 1 49 ? ? ? 
PRD_900054 HAY  H25 H 0 1 N N N -5.232 -3.050  -21.341 -1.167 0.919  -1.574 NAG 1 H4  polymer 1 1 50 ? ? ? 
PRD_900054 HAZ  H26 H 0 1 N N N -4.051 -5.856  -21.737 -0.388 2.924  0.594  NAG 1 H5  polymer 1 1 51 ? ? ? 
PRD_900054 HBA  H27 H 0 1 N N N -5.628 -5.507  -19.944 1.450  2.206  -0.957 NAG 1 H61 polymer 1 1 52 ? ? ? 
PRD_900054 HBAA H28 H 0 1 N N N -6.567 -4.331  -20.924 0.442  2.711  -2.335 NAG 1 H62 polymer 1 1 53 ? ? ? 
PRD_900054 HBC  H29 H 0 1 N N N -3.657 -0.209  -25.549 -6.793 1.595  1.788  NAG 1 H81 polymer 1 1 54 ? ? ? 
PRD_900054 HBCA H30 H 0 1 N N N -4.519 -1.745  -25.201 -7.541 2.925  0.871  NAG 1 H82 polymer 1 1 55 ? ? ? 
PRD_900054 HBCB H31 H 0 1 N N N -4.001 -0.681  -23.851 -7.721 1.246  0.310  NAG 1 H83 polymer 1 1 56 ? ? ? 
PRD_900054 HNBD H32 H 0 1 N N N -1.552 -3.302  -23.779 -4.545 1.475  1.427  NAG 1 HN2 polymer 1 1 57 ? ? ? 
PRD_900054 H45  H33 H 0 1 N N N -5.167 -4.400  -25.595 -3.598 5.176  -0.759 NAG 1 HO1 polymer 1 1 58 ? ? ? 
PRD_900054 HOBI H34 H 0 1 N N N -7.526 -6.423  -20.870 1.910  4.454  -1.621 NAG 1 HO6 polymer 1 1 59 ? ? ? 
PRD_900054 H1   H1  H 0 1 N N N -6.281 -3.921  -19.159 1.385  0.620  -1.520 GAL 2 H1  polymer 1 1 60 ? ? ? 
PRD_900054 H2   H2  H 0 1 N N N -3.743 -4.018  -17.451 1.516  -1.795 0.343  GAL 2 H2  polymer 1 1 61 ? ? ? 
PRD_900054 H3   H3  H 0 1 N N N -6.623 -3.642  -16.519 3.408  -0.879 -1.873 GAL 2 H3  polymer 1 1 62 ? ? ? 
PRD_900054 H4   H5  H 0 1 N N N -6.124 -1.355  -15.968 2.666  -2.917 -3.046 GAL 2 H4  polymer 1 1 63 ? ? ? 
PRD_900054 H5   H7  H 0 1 N N N -6.958 -1.835  -18.204 1.432  -0.825 -3.473 GAL 2 H5  polymer 1 1 64 ? ? ? 
PRD_900054 H6   H8  H 0 1 N N N -4.715 0.203   -18.383 0.673  -2.977 -4.524 GAL 2 H61 polymer 1 1 65 ? ? ? 
PRD_900054 H6A  H9  H 0 1 N N N -6.297 0.492   -17.583 -0.481 -3.184 -3.184 GAL 2 H62 polymer 1 1 66 ? ? ? 
PRD_900054 HO3  H4  H 0 1 N N N -5.520 -3.162  -14.551 4.466  -2.936 -1.277 GAL 2 HO3 polymer 1 1 67 ? ? ? 
PRD_900054 HO4  H6  H 0 1 N N N -3.852 -1.657  -15.651 0.858  -4.135 -2.071 GAL 2 HO4 polymer 1 1 68 ? ? ? 
PRD_900054 HO6  H10 H 0 1 N N N -6.316 1.034   -19.832 -1.476 -2.077 -5.053 GAL 2 HO6 polymer 1 1 69 ? ? ? 
PRD_900054 HAA  H11 H 0 1 N N N -4.218 -5.787  -15.751 3.006  1.192  -0.940 FUC 3 H1  polymer 1 1 70 ? ? ? 
PRD_900054 HAB  H12 H 0 1 N N N -4.422 -8.185  -15.799 4.574  2.642  0.294  FUC 3 H2  polymer 1 1 71 ? ? ? 
PRD_900054 HAC  H13 H 0 1 N N N -5.776 -7.790  -18.490 4.247  0.607  2.549  FUC 3 H3  polymer 1 1 72 ? ? ? 
PRD_900054 HAD  H14 H 0 1 N N N -3.865 -9.064  -19.331 6.633  0.120  2.157  FUC 3 H4  polymer 1 1 73 ? ? ? 
PRD_900054 HAE  H15 H 0 1 N N N -3.845 -6.640  -19.251 4.964  -1.225 0.935  FUC 3 H5  polymer 1 1 74 ? ? ? 
PRD_900054 HAF  H16 H 0 1 N N N -1.424 -6.218  -19.283 7.353  -1.666 0.500  FUC 3 H61 polymer 1 1 75 ? ? ? 
PRD_900054 HAFA H17 H 0 1 N N N -1.143 -7.809  -18.496 6.398  -1.917 -0.981 FUC 3 H62 polymer 1 1 76 ? ? ? 
PRD_900054 HAFB H18 H 0 1 N N N -1.863 -7.734  -20.140 7.359  -0.432 -0.782 FUC 3 H63 polymer 1 1 77 ? ? ? 
PRD_900054 HOAG H19 H 0 1 N N N -6.242 -6.899  -15.132 2.239  2.904  0.731  FUC 3 HO2 polymer 1 1 78 ? ? ? 
PRD_900054 HOAH H20 H 0 1 N N N -6.622 -9.443  -17.150 4.588  2.871  3.237  FUC 3 HO3 polymer 1 1 79 ? ? ? 
PRD_900054 HOAI H21 H 0 1 N N N -3.435 -10.194 -17.365 7.650  1.135  0.249  FUC 3 HO4 polymer 1 1 80 ? ? ? 
PRD_900054 HBK  H35 H 0 1 N N N -1.061 -2.001  -22.253 -4.300 -0.205 1.458  FUC 4 H1  polymer 1 1 81 ? ? ? 
PRD_900054 HBL  H36 H 0 1 N N N -0.462 0.080   -21.143 -4.564 -2.635 1.791  FUC 4 H2  polymer 1 1 82 ? ? ? 
PRD_900054 HBM  H37 H 0 1 N N N -3.126 -0.152  -19.694 -2.222 -2.876 -0.154 FUC 4 H3  polymer 1 1 83 ? ? ? 
PRD_900054 HBN  H38 H 0 1 N N N -1.857 -0.542  -17.657 -0.998 -3.795 1.779  FUC 4 H4  polymer 1 1 84 ? ? ? 
PRD_900054 HBO  H39 H 0 1 N N N -2.652 -2.402  -19.088 -0.859 -1.366 1.373  FUC 4 H5  polymer 1 1 85 ? ? ? 
PRD_900054 HBP  H40 H 0 1 N N N -1.548 -2.843  -16.948 0.297  -2.308 3.354  FUC 4 H61 polymer 1 1 86 ? ? ? 
PRD_900054 HBPA H41 H 0 1 N N N -1.110 -4.107  -18.146 -0.275 -0.653 3.675  FUC 4 H62 polymer 1 1 87 ? ? ? 
PRD_900054 HBPB H42 H 0 1 N N N 0.060  -2.803  -17.748 -1.167 -2.046 4.333  FUC 4 H63 polymer 1 1 88 ? ? ? 
PRD_900054 HOBQ H43 H 0 1 N N N -2.273 1.351   -21.888 -5.560 -1.663 -0.153 FUC 4 HO2 polymer 1 1 89 ? ? ? 
PRD_900054 HOBR H44 H 0 1 N N N -2.238 1.660   -18.567 -3.839 -4.634 -0.255 FUC 4 HO3 polymer 1 1 90 ? ? ? 
PRD_900054 HOBS H45 H 0 1 N N N 0.401  -0.995  -17.906 -2.080 -3.680 3.905  FUC 4 HO4 polymer 1 1 91 ? ? ? 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
PRD_900054 OBJ CBB  DOUB N N 1  
PRD_900054 OBE CAV  SING N N 2  
PRD_900054 CBC CBB  SING N N 3  
PRD_900054 CBB NBD  SING N N 4  
PRD_900054 NBD CAW  SING N N 5  
PRD_900054 CAV CAW  SING N N 6  
PRD_900054 CAV OBH  SING N N 7  
PRD_900054 CAW CAX  SING N N 8  
PRD_900054 OBH CAZ  SING N N 9  
PRD_900054 OBQ CBL  SING N N 10 
PRD_900054 CAZ CAY  SING N N 11 
PRD_900054 CAZ CBA  SING N N 12 
PRD_900054 CAX OBF  SING N N 13 
PRD_900054 CAX CAY  SING N N 14 
PRD_900054 OBI CBA  SING N N 15 
PRD_900054 OBF CBK  SING N N 16 
PRD_900054 CBK CBL  SING N N 17 
PRD_900054 CBK OBT  SING N N 18 
PRD_900054 CAY O1   SING N N 19 
PRD_900054 CBL CBM  SING N N 20 
PRD_900054 OBT CBO  SING N N 21 
PRD_900054 O1  C1   SING N N 22 
PRD_900054 CBM OBR  SING N N 23 
PRD_900054 CBM CBN  SING N N 24 
PRD_900054 O6  C6   SING N N 25 
PRD_900054 CAF CAE  SING N N 26 
PRD_900054 O5  C1   SING N N 27 
PRD_900054 O5  C5   SING N N 28 
PRD_900054 CBO CBN  SING N N 29 
PRD_900054 CBO CBP  SING N N 30 
PRD_900054 C1  C2   SING N N 31 
PRD_900054 CBN OBS  SING N N 32 
PRD_900054 CAE CAD  SING N N 33 
PRD_900054 CAE OAJ  SING N N 34 
PRD_900054 C6  C5   SING N N 35 
PRD_900054 CAD CAC  SING N N 36 
PRD_900054 CAD OAI  SING N N 37 
PRD_900054 C5  C4   SING N N 38 
PRD_900054 CAC OAH  SING N N 39 
PRD_900054 CAC CAB  SING N N 40 
PRD_900054 C2  O2   SING N N 41 
PRD_900054 C2  C3   SING N N 42 
PRD_900054 O2  CAA  SING N N 43 
PRD_900054 OAJ CAA  SING N N 44 
PRD_900054 CAA CAB  SING N N 45 
PRD_900054 C4  O4   SING N N 46 
PRD_900054 C4  C3   SING N N 47 
PRD_900054 CAB OAG  SING N N 48 
PRD_900054 C3  O3   SING N N 49 
PRD_900054 C1  H1   SING N N 50 
PRD_900054 C2  H2   SING N N 51 
PRD_900054 C3  H3   SING N N 52 
PRD_900054 O3  HO3  SING N N 53 
PRD_900054 C4  H4   SING N N 54 
PRD_900054 O4  HO4  SING N N 55 
PRD_900054 C5  H5   SING N N 56 
PRD_900054 C6  H6   SING N N 57 
PRD_900054 C6  H6A  SING N N 58 
PRD_900054 O6  HO6  SING N N 59 
PRD_900054 CAA HAA  SING N N 60 
PRD_900054 CAB HAB  SING N N 61 
PRD_900054 CAC HAC  SING N N 62 
PRD_900054 CAD HAD  SING N N 63 
PRD_900054 CAE HAE  SING N N 64 
PRD_900054 CAF HAF  SING N N 65 
PRD_900054 CAF HAFA SING N N 66 
PRD_900054 CAF HAFB SING N N 67 
PRD_900054 OAG HOAG SING N N 68 
PRD_900054 OAH HOAH SING N N 69 
PRD_900054 OAI HOAI SING N N 70 
PRD_900054 CAV HAV  SING N N 71 
PRD_900054 CAW HAW  SING N N 72 
PRD_900054 CAX HAX  SING N N 73 
PRD_900054 CAY HAY  SING N N 74 
PRD_900054 CAZ HAZ  SING N N 75 
PRD_900054 CBA HBA  SING N N 76 
PRD_900054 CBA HBAA SING N N 77 
PRD_900054 CBC HBC  SING N N 78 
PRD_900054 CBC HBCA SING N N 79 
PRD_900054 CBC HBCB SING N N 80 
PRD_900054 NBD HNBD SING N N 81 
PRD_900054 OBE H45  SING N N 82 
PRD_900054 OBI HOBI SING N N 83 
PRD_900054 CBK HBK  SING N N 84 
PRD_900054 CBL HBL  SING N N 85 
PRD_900054 CBM HBM  SING N N 86 
PRD_900054 CBN HBN  SING N N 87 
PRD_900054 CBO HBO  SING N N 88 
PRD_900054 CBP HBP  SING N N 89 
PRD_900054 CBP HBPA SING N N 90 
PRD_900054 CBP HBPB SING N N 91 
PRD_900054 OBQ HOBQ SING N N 92 
PRD_900054 OBR HOBR SING N N 93 
PRD_900054 OBS HOBS SING N N 94 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
PRD_900054 SMILES           ACDLabs              12.01 "C2(C(OC1C(O)C(O)C(O)C(O1)C)C(O)C(O)C(O2)CO)OC3C(C(C(OC3CO)O)NC(C)=O)OC4C(C(O)C(O)C(C)O4)O"                                                                                                                                                                                                             
PRD_900054 InChI            InChI                1.03  
;InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-2

8)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+
 ,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
;
PRD_900054 InChIKey         InChI                1.03  SRHNADOZAAWYLV-XLMUYGLTSA-N                                                                                                                                                                                                                                                                             
PRD_900054 SMILES_CANONICAL CACTVS               3.385 
;C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[C@@H]4O[C@
 @H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]1O
;
PRD_900054 SMILES           CACTVS               3.385 
;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4
 O)[CH](O)[CH](O)[CH]1O
;
PRD_900054 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 
;C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]
 4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O
;
PRD_900054 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)CO)O)NC(=O)C)O)O)O"                                                                                                                                                                                                               
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
PRD_900054 "SYSTEMATIC NAME" ACDLabs              12.01 
;6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace
 tylamino)-2-deoxy-beta-D-glucopyranose
;
PRD_900054 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 
;~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3-[(2~{S},

3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(2~{S},3~{S},4~{R}
 ,5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-3-yl]ethanamide
;
# 
