data_PRDCC_900085
# 
_chem_comp.id                                    PRD_900085 
_chem_comp.name                                  
;6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-(ace
 tylamino)-2-deoxy-alpha-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_900085 C25  C16 C 0 1 N N S 4.943  5.884  22.447 1.291  -3.813 -0.732 NDG 1 C1   polymer 1 1 1  ? ? ? 
PRD_900085 C26  C3  C 0 1 N N R 5.024  5.649  20.926 0.391  -2.664 -0.271 NDG 1 C2   polymer 1 1 2  ? ? ? 
PRD_900085 C23  C15 C 0 1 N N R 3.831  4.856  20.378 1.155  -1.343 -0.402 NDG 1 C3   polymer 1 1 3  ? ? ? 
PRD_900085 C27  C17 C 0 1 N N S 3.484  3.629  21.233 2.449  -1.431 0.414  NDG 1 C4   polymer 1 1 4  ? ? ? 
PRD_900085 C28  C4  C 0 1 N N R 3.344  4.055  22.707 3.270  -2.628 -0.074 NDG 1 C5   polymer 1 1 5  ? ? ? 
PRD_900085 C45  C26 C 0 1 N N N 3.041  2.905  23.684 4.535  -2.759 0.776  NDG 1 C6   polymer 1 1 6  ? ? ? 
PRD_900085 C31  C18 C 0 1 N N N 6.327  7.630  20.094 -1.871 -3.398 -0.804 NDG 1 C7   polymer 1 1 7  ? ? ? 
PRD_900085 C32  C19 C 0 1 N N N 6.199  8.799  19.125 -3.108 -3.352 -1.662 NDG 1 C8   polymer 1 1 8  ? ? ? 
PRD_900085 O24  O11 O 0 1 N N N 4.552  4.694  23.140 2.490  -3.819 0.046  NDG 1 O    polymer 1 1 9  ? ? ? 
PRD_900085 O22  O10 O 0 1 N N N 3.996  4.540  18.976 0.349  -0.273 0.095  NDG 1 O3   polymer 1 1 10 ? ? ? 
PRD_900085 O34  O14 O 0 1 N N N 2.241  3.140  20.725 3.205  -0.231 0.241  NDG 1 O4   polymer 1 1 11 ? ? ? 
PRD_900085 O46  O19 O 0 1 N N N 4.213  2.110  23.974 5.337  -3.830 0.274  NDG 1 O6   polymer 1 1 12 ? ? ? 
PRD_900085 O33  O13 O 0 1 N N N 7.272  6.672  19.635 -1.827 -4.134 0.159  NDG 1 O7   polymer 1 1 13 ? ? ? 
PRD_900085 N30  N1  N 0 1 N N N 5.072  6.928  20.234 -0.812 -2.620 -1.106 NDG 1 N2   polymer 1 1 14 ? ? ? 
PRD_900085 O29  O12 O 0 1 N N N 4.057  6.981  22.753 1.620  -3.637 -2.112 NDG 1 O1L  polymer 1 1 15 ? ? ? 
PRD_900085 C16  C14 C 0 1 N N R 3.275  5.384  18.050 -0.494 0.326  -0.891 GAL 2 C1   polymer 1 1 16 ? ? ? 
PRD_900085 C11  C11 C 0 1 N N R 3.739  5.040  16.621 -1.359 1.405  -0.236 GAL 2 C2   polymer 1 1 17 ? ? ? 
PRD_900085 C12  C12 C 0 1 N N S 2.871  5.703  15.538 -2.216 2.084  -1.309 GAL 2 C3   polymer 1 1 18 ? ? ? 
PRD_900085 C13  C1  C 0 1 N N R 1.381  5.566  15.835 -1.298 2.655  -2.394 GAL 2 C4   polymer 1 1 19 ? ? ? 
PRD_900085 C14  C13 C 0 1 N N R 1.054  6.029  17.256 -0.434 1.527  -2.966 GAL 2 C5   polymer 1 1 20 ? ? ? 
PRD_900085 C20  C2  C 0 1 N N N -0.443 5.909  17.544 0.528  2.100  -4.009 GAL 2 C6   polymer 1 1 21 ? ? ? 
PRD_900085 O10  O4  O 0 1 N N N 5.106  5.468  16.479 -2.209 0.806  0.744  GAL 2 O2   polymer 1 1 22 ? ? ? 
PRD_900085 O18  O7  O 0 1 N N N 3.132  5.089  14.266 -2.973 3.142  -0.719 GAL 2 O3   polymer 1 1 23 ? ? ? 
PRD_900085 O19  O8  O 0 1 N N N 1.044  4.187  15.732 -0.455 3.661  -1.828 GAL 2 O4   polymer 1 1 24 ? ? ? 
PRD_900085 O15  O5  O 0 1 N N N 1.840  5.294  18.217 0.313  0.919  -1.911 GAL 2 O5   polymer 1 1 25 ? ? ? 
PRD_900085 O21  O9  O 0 1 N N N -0.649 6.275  18.914 1.252  1.034  -4.626 GAL 2 O6   polymer 1 1 26 ? ? ? 
PRD_900085 C05  C9  C 0 1 N N S 6.013  4.532  15.869 -3.093 -0.186 0.219  FUC 3 C1   polymer 1 1 27 ? ? ? 
PRD_900085 C04  C8  C 0 1 N N S 7.324  5.301  15.613 -3.653 -1.031 1.367  FUC 3 C2   polymer 1 1 28 ? ? ? 
PRD_900085 C03  C7  C 0 1 N N R 8.121  5.470  16.922 -4.467 -0.131 2.302  FUC 3 C3   polymer 1 1 29 ? ? ? 
PRD_900085 C02  C6  C 0 1 N N S 8.345  4.120  17.639 -5.571 0.559  1.495  FUC 3 C4   polymer 1 1 30 ? ? ? 
PRD_900085 C01  C5  C 0 1 N N S 6.953  3.538  17.928 -4.937 1.342  0.343  FUC 3 C5   polymer 1 1 31 ? ? ? 
PRD_900085 C07  C10 C 0 1 N N N 6.952  2.250  18.758 -6.038 1.985  -0.503 FUC 3 C6   polymer 1 1 32 ? ? ? 
PRD_900085 O09  O3  O 0 1 N N N 7.049  6.562  14.966 -2.575 -1.624 2.093  FUC 3 O2   polymer 1 1 33 ? ? ? 
PRD_900085 O08  O2  O 0 1 N N N 9.382  6.049  16.603 -5.054 -0.922 3.337  FUC 3 O3   polymer 1 1 34 ? ? ? 
PRD_900085 O17  O6  O 0 1 N N N 9.111  3.254  16.770 -6.466 -0.424 0.970  FUC 3 O4   polymer 1 1 35 ? ? ? 
PRD_900085 O06  O1  O 0 1 N N N 6.250  3.345  16.693 -4.170 0.452  -0.470 FUC 3 O5   polymer 1 1 36 ? ? ? 
PRD_900085 C35  C20 C 0 1 N N S 2.086  1.724  20.596 3.833  0.237  1.436  FUC 4 C1   polymer 1 1 37 ? ? ? 
PRD_900085 C40  C24 C 0 1 N N S 0.571  1.485  20.519 4.829  1.347  1.088  FUC 4 C2   polymer 1 1 38 ? ? ? 
PRD_900085 C39  C23 C 0 1 N N R 0.004  2.002  19.187 4.073  2.525  0.468  FUC 4 C3   polymer 1 1 39 ? ? ? 
PRD_900085 C38  C22 C 0 1 N N S 0.734  1.331  18.015 2.994  2.998  1.447  FUC 4 C4   polymer 1 1 40 ? ? ? 
PRD_900085 C37  C21 C 0 1 N N S 2.239  1.616  18.138 2.069  1.825  1.781  FUC 4 C5   polymer 1 1 41 ? ? ? 
PRD_900085 C44  C25 C 0 1 N N N 3.006  0.992  16.977 1.025  2.274  2.806  FUC 4 C6   polymer 1 1 42 ? ? ? 
PRD_900085 O41  O16 O 0 1 N N N -0.096 2.153  21.597 5.790  0.850  0.153  FUC 4 O2   polymer 1 1 43 ? ? ? 
PRD_900085 O42  O17 O 0 1 N N N -1.415 1.794  19.131 4.984  3.595  0.207  FUC 4 O3   polymer 1 1 44 ? ? ? 
PRD_900085 O43  O18 O 0 1 N N N 0.487  -0.083 18.030 3.612  3.475  2.644  FUC 4 O4   polymer 1 1 45 ? ? ? 
PRD_900085 O36  O15 O 0 1 N N N 2.760  1.191  19.426 2.840  0.752  2.325  FUC 4 O5   polymer 1 1 46 ? ? ? 
PRD_900085 H25  H25 H 0 1 N N N 5.954  6.159  22.781 0.768  -4.760 -0.601 NDG 1 H1   polymer 1 1 47 ? ? ? 
PRD_900085 H26  H4  H 0 1 N N N 5.943  5.084  20.713 0.107  -2.819 0.770  NDG 1 H2   polymer 1 1 48 ? ? ? 
PRD_900085 H23  H24 H 0 1 N N N 2.964  5.529  20.453 1.395  -1.163 -1.450 NDG 1 H3   polymer 1 1 49 ? ? ? 
PRD_900085 H27  H26 H 0 1 N N N 4.278  2.874  21.139 2.206  -1.561 1.468  NDG 1 H4   polymer 1 1 50 ? ? ? 
PRD_900085 H28  H5  H 0 1 N N N 2.514  4.775  22.770 3.546  -2.478 -1.117 NDG 1 H5   polymer 1 1 51 ? ? ? 
PRD_900085 H45  H46 H 0 1 N N N 2.660  3.330  24.624 5.102  -1.829 0.730  NDG 1 H6C1 polymer 1 1 52 ? ? ? 
PRD_900085 H45A H47 H 0 1 N N N 2.274  2.255  23.238 4.259  -2.965 1.810  NDG 1 H6C2 polymer 1 1 53 ? ? ? 
PRD_900085 H32A H31 H 0 1 N N N 6.875  8.644  18.271 -2.962 -2.638 -2.473 NDG 1 H8C1 polymer 1 1 54 ? ? ? 
PRD_900085 H32  H32 H 0 1 N N N 5.162  8.864  18.764 -3.298 -4.341 -2.079 NDG 1 H8C2 polymer 1 1 55 ? ? ? 
PRD_900085 H32B H33 H 0 1 N N N 6.468  9.733  19.640 -3.960 -3.044 -1.056 NDG 1 H8C3 polymer 1 1 56 ? ? ? 
PRD_900085 HO46 H48 H 0 1 N N N 3.983  1.414  24.578 6.158  -3.971 0.766  NDG 1 H6   polymer 1 1 57 ? ? ? 
PRD_900085 HN30 H28 H 0 1 N N N 4.235  7.322  19.855 -0.847 -2.030 -1.875 NDG 1 HA   polymer 1 1 58 ? ? ? 
PRD_900085 H451 H27 H 0 1 N N N 4.022  7.108  23.694 2.190  -4.331 -2.472 NDG 1 H1L  polymer 1 1 59 ? ? ? 
PRD_900085 H16  H19 H 0 1 N N N 3.573  6.426  18.239 -1.136 -0.436 -1.333 GAL 2 H1   polymer 1 1 60 ? ? ? 
PRD_900085 H11  H16 H 0 1 N N N 3.679  3.949  16.492 -0.718 2.146  0.242  GAL 2 H2   polymer 1 1 61 ? ? ? 
PRD_900085 H12  H17 H 0 1 N N N 3.124  6.773  15.495 -2.892 1.352  -1.752 GAL 2 H3   polymer 1 1 62 ? ? ? 
PRD_900085 H13  H1  H 0 1 N N N 0.807  6.166  15.114 -1.901 3.091  -3.190 GAL 2 H4   polymer 1 1 63 ? ? ? 
PRD_900085 H14  H18 H 0 1 N N N 1.320  7.094  17.326 -1.075 0.781  -3.435 GAL 2 H5   polymer 1 1 64 ? ? ? 
PRD_900085 H20  H2  H 0 1 N N N -1.007 6.586  16.886 -0.038 2.642  -4.767 GAL 2 H61  polymer 1 1 65 ? ? ? 
PRD_900085 H20A H3  H 0 1 N N N -0.776 4.874  17.378 1.227  2.780  -3.522 GAL 2 H62  polymer 1 1 66 ? ? ? 
PRD_900085 HO18 H21 H 0 1 N N N 4.057  5.164  14.062 -3.535 3.620  -1.344 GAL 2 HO3  polymer 1 1 67 ? ? ? 
PRD_900085 HO19 H22 H 0 1 N N N 0.118  4.072  15.913 0.156  4.063  -2.459 GAL 2 HO4  polymer 1 1 68 ? ? ? 
PRD_900085 HO21 H23 H 0 1 N N N -1.573 6.210  19.124 1.883  1.325  -5.299 GAL 2 HO6  polymer 1 1 69 ? ? ? 
PRD_900085 H05  H10 H 0 1 N N N 5.609  4.216  14.896 -2.548 -0.829 -0.473 FUC 3 H1   polymer 1 1 70 ? ? ? 
PRD_900085 H04  H9  H 0 1 N N N 7.936  4.687  14.935 -4.296 -1.813 0.963  FUC 3 H2   polymer 1 1 71 ? ? ? 
PRD_900085 H03  H8  H 0 1 N N N 7.557  6.134  17.593 -3.814 0.621  2.744  FUC 3 H3   polymer 1 1 72 ? ? ? 
PRD_900085 H02  H7  H 0 1 N N N 8.876  4.292  18.587 -6.121 1.243  2.142  FUC 3 H4   polymer 1 1 73 ? ? ? 
PRD_900085 H01  H6  H 0 1 N N N 6.409  4.294  18.514 -4.287 2.119  0.745  FUC 3 H5   polymer 1 1 74 ? ? ? 
PRD_900085 H07  H11 H 0 1 N N N 7.495  2.419  19.699 -6.577 2.717  0.098  FUC 3 H61  polymer 1 1 75 ? ? ? 
PRD_900085 H07A H12 H 0 1 N N N 5.915  1.958  18.981 -5.591 2.481  -1.365 FUC 3 H62  polymer 1 1 76 ? ? ? 
PRD_900085 H07B H13 H 0 1 N N N 7.445  1.447  18.190 -6.730 1.216  -0.845 FUC 3 H63  polymer 1 1 77 ? ? ? 
PRD_900085 HO09 H15 H 0 1 N N N 7.865  7.025  14.814 -2.013 -2.204 1.560  FUC 3 HO2  polymer 1 1 78 ? ? ? 
PRD_900085 HO08 H14 H 0 1 N N N 9.889  6.162  17.398 -4.411 -1.389 3.888  FUC 3 HO3  polymer 1 1 79 ? ? ? 
PRD_900085 HO17 H20 H 0 1 N N N 9.255  2.420  17.201 -7.189 -0.056 0.444  FUC 3 HO4  polymer 1 1 80 ? ? ? 
PRD_900085 H35  H35 H 0 1 N N N 2.469  1.225  21.498 4.360  -0.587 1.917  FUC 4 H1   polymer 1 1 81 ? ? ? 
PRD_900085 H40  H39 H 0 1 N N N 0.386  0.402  20.579 5.338  1.676  1.994  FUC 4 H2   polymer 1 1 82 ? ? ? 
PRD_900085 H39  H38 H 0 1 N N N 0.209  3.081  19.134 3.605  2.208  -0.464 FUC 4 H3   polymer 1 1 83 ? ? ? 
PRD_900085 H38  H37 H 0 1 N N N 0.368  1.768  17.074 2.414  3.801  0.992  FUC 4 H4   polymer 1 1 84 ? ? ? 
PRD_900085 H37  H36 H 0 1 N N N 2.367  2.706  18.062 1.567  1.488  0.874  FUC 4 H5   polymer 1 1 85 ? ? ? 
PRD_900085 H44A H43 H 0 1 N N N 4.079  1.209  17.087 1.527  2.611  3.712  FUC 4 H61  polymer 1 1 86 ? ? ? 
PRD_900085 H44  H44 H 0 1 N N N 2.850  -0.097 16.978 0.437  3.092  2.390  FUC 4 H62  polymer 1 1 87 ? ? ? 
PRD_900085 H44B H45 H 0 1 N N N 2.642  1.414  16.028 0.367  1.438  3.044  FUC 4 H63  polymer 1 1 88 ? ? ? 
PRD_900085 HO41 H40 H 0 1 N N N 0.248  1.840  22.425 6.306  0.101  0.481  FUC 4 HO2  polymer 1 1 89 ? ? ? 
PRD_900085 HO42 H41 H 0 1 N N N -1.828 2.223  19.871 5.695  3.365  -0.407 FUC 4 HO3  polymer 1 1 90 ? ? ? 
PRD_900085 HO43 H42 H 0 1 N N N -0.446 -0.243 17.953 2.987  3.786  3.313  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_900085 O18 C12  SING N N 1  
PRD_900085 O09 C04  SING N N 2  
PRD_900085 C12 C13  SING N N 3  
PRD_900085 C12 C11  SING N N 4  
PRD_900085 C04 C05  SING N N 5  
PRD_900085 C04 C03  SING N N 6  
PRD_900085 O19 C13  SING N N 7  
PRD_900085 C13 C14  SING N N 8  
PRD_900085 C05 O10  SING N N 9  
PRD_900085 C05 O06  SING N N 10 
PRD_900085 O10 C11  SING N N 11 
PRD_900085 O08 C03  SING N N 12 
PRD_900085 C11 C16  SING N N 13 
PRD_900085 O06 C01  SING N N 14 
PRD_900085 O17 C02  SING N N 15 
PRD_900085 C03 C02  SING N N 16 
PRD_900085 C44 C37  SING N N 17 
PRD_900085 C14 C20  SING N N 18 
PRD_900085 C14 O15  SING N N 19 
PRD_900085 C20 O21  SING N N 20 
PRD_900085 C02 C01  SING N N 21 
PRD_900085 C01 C07  SING N N 22 
PRD_900085 C38 O43  SING N N 23 
PRD_900085 C38 C37  SING N N 24 
PRD_900085 C38 C39  SING N N 25 
PRD_900085 C16 O15  SING N N 26 
PRD_900085 C16 O22  SING N N 27 
PRD_900085 C37 O36  SING N N 28 
PRD_900085 O22 C23  SING N N 29 
PRD_900085 C32 C31  SING N N 30 
PRD_900085 O42 C39  SING N N 31 
PRD_900085 C39 C40  SING N N 32 
PRD_900085 O36 C35  SING N N 33 
PRD_900085 O33 C31  DOUB N N 34 
PRD_900085 C31 N30  SING N N 35 
PRD_900085 N30 C26  SING N N 36 
PRD_900085 C23 C26  SING N N 37 
PRD_900085 C23 C27  SING N N 38 
PRD_900085 C40 C35  SING N N 39 
PRD_900085 C40 O41  SING N N 40 
PRD_900085 C35 O34  SING N N 41 
PRD_900085 O34 C27  SING N N 42 
PRD_900085 C26 C25  SING N N 43 
PRD_900085 C27 C28  SING N N 44 
PRD_900085 C25 O29  SING N N 45 
PRD_900085 C25 O24  SING N N 46 
PRD_900085 C28 O24  SING N N 47 
PRD_900085 C28 C45  SING N N 48 
PRD_900085 C45 O46  SING N N 49 
PRD_900085 C13 H13  SING N N 50 
PRD_900085 C20 H20  SING N N 51 
PRD_900085 C20 H20A SING N N 52 
PRD_900085 C26 H26  SING N N 53 
PRD_900085 C28 H28  SING N N 54 
PRD_900085 C01 H01  SING N N 55 
PRD_900085 C02 H02  SING N N 56 
PRD_900085 C03 H03  SING N N 57 
PRD_900085 C04 H04  SING N N 58 
PRD_900085 C05 H05  SING N N 59 
PRD_900085 C07 H07  SING N N 60 
PRD_900085 C07 H07A SING N N 61 
PRD_900085 C07 H07B SING N N 62 
PRD_900085 O08 HO08 SING N N 63 
PRD_900085 O09 HO09 SING N N 64 
PRD_900085 C11 H11  SING N N 65 
PRD_900085 C12 H12  SING N N 66 
PRD_900085 C14 H14  SING N N 67 
PRD_900085 C16 H16  SING N N 68 
PRD_900085 O17 HO17 SING N N 69 
PRD_900085 O18 HO18 SING N N 70 
PRD_900085 O19 HO19 SING N N 71 
PRD_900085 O21 HO21 SING N N 72 
PRD_900085 C23 H23  SING N N 73 
PRD_900085 C25 H25  SING N N 74 
PRD_900085 C27 H27  SING N N 75 
PRD_900085 O29 H451 SING N N 76 
PRD_900085 N30 HN30 SING N N 77 
PRD_900085 C32 H32A SING N N 78 
PRD_900085 C32 H32  SING N N 79 
PRD_900085 C32 H32B SING N N 80 
PRD_900085 C35 H35  SING N N 81 
PRD_900085 C37 H37  SING N N 82 
PRD_900085 C38 H38  SING N N 83 
PRD_900085 C39 H39  SING N N 84 
PRD_900085 C40 H40  SING N N 85 
PRD_900085 O41 HO41 SING N N 86 
PRD_900085 O42 HO42 SING N N 87 
PRD_900085 O43 HO43 SING N N 88 
PRD_900085 C44 H44A SING N N 89 
PRD_900085 C44 H44  SING N N 90 
PRD_900085 C44 H44B SING N N 91 
PRD_900085 C45 H45  SING N N 92 
PRD_900085 C45 H45A SING N N 93 
PRD_900085 O46 HO46 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_900085 SMILES           ACDLabs              12.01 "C2(C(CO)OC(C(OC1C(C(C(C(C)O1)O)O)O)C2O)OC3C(C(OC(CO)C3OC4OC(C(O)C(C4O)O)C)O)NC(C)=O)O"                                                                                                                                                                                                                 
PRD_900085 InChI            InChI                1.03  
;InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)44-20-10(5-29)42-23(39)11(27-8(3)30)21(20)45-26-22(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_900085 InChIKey         InChI                1.03  OXNGKCPRVRBHPO-RNZSTKBHSA-N                                                                                                                                                                                                                                                                             
PRD_900085 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](NC(C)=O)[C@@H](O)O[C@H](CO)[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_900085 SMILES           CACTVS               3.385 
;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4
 O)[CH](O)[CH](O)[CH]1O
;
PRD_900085 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](O[C@@H]([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)NC(=O)C)O)CO)O)O)O
;
PRD_900085 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)O)CO)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_900085 "SYSTEMATIC NAME" ACDLabs              12.01 
;6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-(ace
 tylamino)-2-deoxy-alpha-D-glucopyranose
;
PRD_900085 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 
;~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4-[(2~{R},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-5-[(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
;
# 
