data_PRDCC_900007
# 
_chem_comp.id                                    PRD_900007 
_chem_comp.name                                  ALPHA-ACARBOSE 
_chem_comp.type                                  saccharide 
_chem_comp.formula                               "C25 H43 N O18" 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.formula_weight                        645.605 
_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_900007 C1D  C20 C 0 1 N N S 3.988  4.651   -26.202 7.404  -2.440 0.110  GLC 1 C1   polymer 1 1 1  ? ? ? 
PRD_900007 C2D  C21 C 0 1 N N R 2.530  5.083   -26.384 7.552  -1.336 -0.941 GLC 1 C2   polymer 1 1 2  ? ? ? 
PRD_900007 C3D  C22 C 0 1 N N R 1.626  4.690   -25.223 6.710  -0.127 -0.522 GLC 1 C3   polymer 1 1 3  ? ? ? 
PRD_900007 C4D  C23 C 0 1 N N S 1.759  3.200   -24.974 5.254  -0.569 -0.344 GLC 1 C4   polymer 1 1 4  ? ? ? 
PRD_900007 C5D  C24 C 0 1 N N R 3.238  2.931   -24.735 5.195  -1.702 0.683  GLC 1 C5   polymer 1 1 5  ? ? ? 
PRD_900007 C6D  C25 C 0 1 N N N 3.510  1.470   -24.408 3.752  -2.190 0.822  GLC 1 C6   polymer 1 1 6  ? ? ? 
PRD_900007 O1D  O18 O 0 1 N Y N 4.663  5.436   -25.187 7.907  -1.974 1.363  GLC 1 O1   polymer 1 1 7  ? ? ? 
PRD_900007 O2D  O13 O 0 1 N N N 2.465  6.514   -26.533 8.924  -0.952 -1.040 GLC 1 O2   polymer 1 1 8  ? ? ? 
PRD_900007 O3D  O14 O 0 1 N N N 0.271  5.041   -25.546 6.784  0.880  -1.533 GLC 1 O3   polymer 1 1 9  ? ? ? 
PRD_900007 O4D  O15 O 0 1 N N N 1.037  2.790   -23.817 4.473  0.535  0.116  GLC 1 O4   polymer 1 1 10 ? ? ? 
PRD_900007 O5D  O16 O 0 1 N N N 4.002  3.265   -25.894 6.023  -2.782 0.248  GLC 1 O5   polymer 1 1 11 ? ? ? 
PRD_900007 O6D  O17 O 0 1 N N N 4.892  1.266   -24.084 3.681  -3.180 1.850  GLC 1 O6   polymer 1 1 12 ? ? ? 
PRD_900007 C1C  C14 C 0 1 N N R -0.284 2.327   -24.099 3.994  1.384  -0.928 GLC 2 C1   polymer 1 1 13 ? ? ? 
PRD_900007 C2C  C15 C 0 1 N N R -1.032 2.247   -22.791 3.448  2.680  -0.323 GLC 2 C2   polymer 1 1 14 ? ? ? 
PRD_900007 C3C  C16 C 0 1 N N R -0.426 1.218   -21.858 2.262  2.349  0.588  GLC 2 C3   polymer 1 1 15 ? ? ? 
PRD_900007 C4C  C17 C 0 1 N N S -0.499 -0.131  -22.572 1.204  1.596  -0.223 GLC 2 C4   polymer 1 1 16 ? ? ? 
PRD_900007 C5C  C18 C 0 1 N N R 0.261  -0.032  -23.884 1.836  0.342  -0.833 GLC 2 C5   polymer 1 1 17 ? ? ? 
PRD_900007 C6C  C19 C 0 1 N N N 0.205  -1.327  -24.692 0.800  -0.384 -1.694 GLC 2 C6   polymer 1 1 18 ? ? ? 
PRD_900007 O2C  O8  O 0 1 N N N -0.974 3.542   -22.168 4.473  3.319  0.441  GLC 2 O2   polymer 1 1 19 ? ? ? 
PRD_900007 O3C  O9  O 0 1 N N N -1.097 1.202   -20.591 1.700  3.559  1.100  GLC 2 O3   polymer 1 1 20 ? ? ? 
PRD_900007 O4C  O10 O 0 1 N N N 0.142  -1.170  -21.832 0.124  1.219  0.633  GLC 2 O4   polymer 1 1 21 ? ? ? 
PRD_900007 O5C  O11 O 0 1 N N N -0.215 1.048   -24.710 2.951  0.718  -1.643 GLC 2 O5   polymer 1 1 22 ? ? ? 
PRD_900007 O6C  O12 O 0 1 N N N -1.140 -1.710  -25.003 1.360  -1.604 -2.184 GLC 2 O6   polymer 1 1 23 ? ? ? 
PRD_900007 C1B  C8  C 0 1 N N R -0.604 -1.735  -20.758 -0.864 2.237  0.806  AC1 3 C1   polymer 1 1 24 ? ? ? 
PRD_900007 O2B  O5  O 0 1 N N N 1.514  -1.991  -19.655 -1.020 1.670  3.152  AC1 3 O2   polymer 1 1 25 ? ? ? 
PRD_900007 C2B  C9  C 0 1 N N R 0.327  -2.693  -20.037 -1.791 1.857  1.963  AC1 3 C2   polymer 1 1 26 ? ? ? 
PRD_900007 C4A  C4  C 0 1 N N R -2.277 -9.275  -22.339 -7.980 -1.586 -0.323 AC1 3 C4   polymer 1 1 27 ? ? ? 
PRD_900007 C3B  C10 C 0 1 N N S 0.648  -3.883  -20.939 -2.521 0.555  1.617  AC1 3 C3A  polymer 1 1 28 ? ? ? 
PRD_900007 O3B  O6  O 0 1 N N N 1.465  -4.801  -20.223 -3.443 0.232  2.659  AC1 3 O3A  polymer 1 1 29 ? ? ? 
PRD_900007 C4B  C11 C 0 1 N N S -0.636 -4.592  -21.333 -3.281 0.744  0.301  AC1 3 C4A  polymer 1 1 30 ? ? ? 
PRD_900007 N4B  N1  N 0 1 N N N -0.424 -5.825  -22.133 -3.926 -0.520 -0.080 AC1 3 N4A  polymer 1 1 31 ? ? ? 
PRD_900007 C5B  C12 C 0 1 N N R -1.509 -3.572  -22.063 -2.296 1.167  -0.793 AC1 3 C5A  polymer 1 1 32 ? ? ? 
PRD_900007 O5B  O7  O 0 1 N N N -1.747 -2.434  -21.229 -1.630 2.366  -0.393 AC1 3 O5   polymer 1 1 33 ? ? ? 
PRD_900007 C6B  C13 C 0 1 N N N -2.882 -4.141  -22.401 -3.057 1.416  -2.096 AC1 3 C6A  polymer 1 1 34 ? ? ? 
PRD_900007 C1A  C1  C 0 1 N N S -0.349 -7.138  -21.443 -5.285 -0.605 0.471  AC1 3 C1B  polymer 1 1 35 ? ? ? 
PRD_900007 C2A  C2  C 0 1 N N S 0.034  -8.347  -22.305 -5.705 -2.074 0.553  AC1 3 C2B  polymer 1 1 36 ? ? ? 
PRD_900007 O2A  O1  O 0 1 N N N 1.226  -8.063  -23.048 -5.455 -2.716 -0.700 AC1 3 O2B  polymer 1 1 37 ? ? ? 
PRD_900007 C3A  C3  C 0 1 N N S -1.130 -8.766  -23.194 -7.204 -2.133 0.877  AC1 3 C3B  polymer 1 1 38 ? ? ? 
PRD_900007 O3A  O2  O 0 1 N N N -0.771 -9.859  -24.044 -7.477 -1.334 2.030  AC1 3 O3B  polymer 1 1 39 ? ? ? 
PRD_900007 O4A  O3  O 0 1 N N N -3.423 -9.439  -23.165 -7.899 -2.518 -1.404 AC1 3 O4   polymer 1 1 40 ? ? ? 
PRD_900007 C5A  C5  C 0 1 N N N -2.548 -8.331  -21.197 -7.403 -0.270 -0.757 AC1 3 C5B  polymer 1 1 41 ? ? ? 
PRD_900007 C7A  C7  C 0 1 N N N -1.687 -7.383  -20.802 -6.229 0.154  -0.415 AC1 3 C7B  polymer 1 1 42 ? ? ? 
PRD_900007 C6A  C6  C 0 1 N N N -3.816 -8.459  -20.388 -8.242 0.611  -1.646 AC1 3 C6B  polymer 1 1 43 ? ? ? 
PRD_900007 O6A  O4  O 0 1 N N N -3.660 -9.601  -19.554 -7.522 1.809  -1.945 AC1 3 O6B  polymer 1 1 44 ? ? ? 
PRD_900007 H1D  H34 H 0 1 N N N 4.501  4.808   -27.162 7.967  -3.319 -0.204 GLC 1 H1   polymer 1 1 45 ? ? ? 
PRD_900007 H2D  H35 H 0 1 N N N 2.144  4.605   -27.297 7.205  -1.704 -1.907 GLC 1 H2   polymer 1 1 46 ? ? ? 
PRD_900007 H3D  H36 H 0 1 N N N 1.950  5.232   -24.322 7.088  0.271  0.419  GLC 1 H3   polymer 1 1 47 ? ? ? 
PRD_900007 H4D  H37 H 0 1 N N N 1.424  2.646   -25.863 4.861  -0.922 -1.298 GLC 1 H4   polymer 1 1 48 ? ? ? 
PRD_900007 H5D  H38 H 0 1 N N N 3.569  3.545   -23.884 5.550  -1.338 1.647  GLC 1 H5   polymer 1 1 49 ? ? ? 
PRD_900007 H6D1 H39 H 0 0 N N N 2.891  1.172   -23.549 3.108  -1.350 1.082  GLC 1 H61  polymer 1 1 50 ? ? ? 
PRD_900007 H6D2 H40 H 0 0 N N N 3.249  0.851   -25.280 3.422  -2.623 -0.122 GLC 1 H62  polymer 1 1 51 ? ? ? 
PRD_900007 HOD1 H44 H 0 1 N N N 5.562  5.140   -25.103 7.845  -2.623 2.078  GLC 1 HO1  polymer 1 1 52 ? ? ? 
PRD_900007 HOD2 H41 H 0 0 N N N 1.560  6.780   -26.646 9.517  -1.671 -1.297 GLC 1 HO2  polymer 1 1 53 ? ? ? 
PRD_900007 HOD3 H42 H 0 0 N N N -0.300 4.799   -24.826 7.679  1.202  -1.704 GLC 1 HO3  polymer 1 1 54 ? ? ? 
PRD_900007 HOD6 H43 H 0 0 N N N 5.039  0.349   -23.884 2.793  -3.535 1.994  GLC 1 HO6  polymer 1 1 55 ? ? ? 
PRD_900007 H1C  H24 H 0 1 N N N -0.799 3.037   -24.762 4.811  1.618  -1.610 GLC 2 H1   polymer 1 1 56 ? ? ? 
PRD_900007 H2C  H25 H 0 1 N N N -2.078 1.973   -22.993 3.121  3.346  -1.121 GLC 2 H2   polymer 1 1 57 ? ? ? 
PRD_900007 H3C  H26 H 0 1 N N N 0.634  1.470   -21.707 2.600  1.726  1.416  GLC 2 H3   polymer 1 1 58 ? ? ? 
PRD_900007 H4C  H27 H 0 1 N N N -1.551 -0.383  -22.773 0.829  2.240  -1.019 GLC 2 H4   polymer 1 1 59 ? ? ? 
PRD_900007 H5C  H28 H 0 1 N N N 1.317  0.157   -23.640 2.173  -0.319 -0.035 GLC 2 H5   polymer 1 1 60 ? ? ? 
PRD_900007 H6C1 H30 H 0 0 N N N 0.759  -1.183  -25.631 0.518  0.250  -2.535 GLC 2 H61  polymer 1 1 61 ? ? ? 
PRD_900007 H6C2 H29 H 0 0 N N N 0.677  -2.131  -24.107 -0.082 -0.604 -1.093 GLC 2 H62  polymer 1 1 62 ? ? ? 
PRD_900007 HOC2 H31 H 0 0 N N N -1.439 3.517   -21.340 5.259  3.553  -0.072 GLC 2 HO2  polymer 1 1 63 ? ? ? 
PRD_900007 HOC3 H32 H 0 0 N N N -0.697 0.549   -20.028 2.319  4.091  1.620  GLC 2 HO3  polymer 1 1 64 ? ? ? 
PRD_900007 HOC6 H33 H 0 0 N N N -1.132 -2.517  -25.504 0.758  -2.118 -2.740 GLC 2 HO6  polymer 1 1 65 ? ? ? 
PRD_900007 H1B  H12 H 0 1 N N N -0.909 -0.945  -20.056 -0.375 3.185  1.029  AC1 3 H1   polymer 1 1 66 ? ? ? 
PRD_900007 HOB2 H22 H 0 0 N N N 1.283  -1.258  -19.096 -0.527 2.454  3.428  AC1 3 HO2  polymer 1 1 67 ? ? ? 
PRD_900007 H2B  H13 H 0 1 N N N -0.186 -3.068  -19.139 -2.520 2.652  2.123  AC1 3 HC2  polymer 1 1 68 ? ? ? 
PRD_900007 H4A  H4  H 0 1 N N N -1.986 -10.249 -21.920 -9.025 -1.448 -0.045 AC1 3 HC4  polymer 1 1 69 ? ? ? 
PRD_900007 H3B  H14 H 0 1 N N N 1.162  -3.526  -21.844 -1.796 -0.252 1.508  AC1 3 HCA3 polymer 1 1 70 ? ? ? 
PRD_900007 HOB3 H23 H 0 0 N N N 2.274  -4.373  -19.968 -3.030 0.105  3.524  AC1 3 HOA3 polymer 1 1 71 ? ? ? 
PRD_900007 H4B  H15 H 0 1 N N N -1.159 -4.873  -20.407 -4.040 1.516  0.426  AC1 3 HCA4 polymer 1 1 72 ? ? ? 
PRD_900007 HN4  H20 H 0 1 N N N 0.437  -5.707  -22.628 -3.369 -1.311 0.208  AC1 3 HN4  polymer 1 1 73 ? ? ? 
PRD_900007 H5B  H16 H 0 1 N N N -1.006 -3.268  -22.993 -1.562 0.376  -0.946 AC1 3 HCA5 polymer 1 1 74 ? ? ? 
PRD_900007 H6B1 H19 H 0 0 N N N -3.396 -4.434  -21.474 -3.493 0.480  -2.447 AC1 3 H6A1 polymer 1 1 75 ? ? ? 
PRD_900007 H6B2 H17 H 0 0 N N N -3.477 -3.378  -22.924 -3.851 2.142  -1.921 AC1 3 H6A2 polymer 1 1 76 ? ? ? 
PRD_900007 H6B3 H18 H 0 0 N N N -2.764 -5.022  -23.049 -2.371 1.802  -2.850 AC1 3 H6A3 polymer 1 1 77 ? ? ? 
PRD_900007 H1A  H1  H 0 1 N N N 0.398  -7.057  -20.640 -5.298 -0.169 1.470  AC1 3 HCB1 polymer 1 1 78 ? ? ? 
PRD_900007 H2A  H2  H 0 1 N N N 0.241  -9.183  -21.620 -5.141 -2.574 1.339  AC1 3 HCB2 polymer 1 1 79 ? ? ? 
PRD_900007 HOA2 H8  H 0 0 N N N 1.919  -7.808  -22.450 -5.699 -3.651 -0.718 AC1 3 HO2B polymer 1 1 80 ? ? ? 
PRD_900007 H3A  H3  H 0 1 N N N -1.468 -7.904  -23.788 -7.498 -3.165 1.064  AC1 3 HCB3 polymer 1 1 81 ? ? ? 
PRD_900007 HOA3 H9  H 0 0 N N N -0.052 -9.599  -24.608 -8.411 -1.313 2.281  AC1 3 HOB3 polymer 1 1 82 ? ? ? 
PRD_900007 HOA4 H10 H 0 0 N N N -4.149 -9.758  -22.641 -8.370 -2.237 -2.201 AC1 3 HO4  polymer 1 1 83 ? ? ? 
PRD_900007 H7A  H7  H 0 1 N N N -1.972 -6.755  -19.971 -5.909 1.115  -0.790 AC1 3 HC7  polymer 1 1 84 ? ? ? 
PRD_900007 H6A1 H5  H 0 0 N N N -3.965 -7.559  -19.773 -8.469 0.083  -2.571 AC1 3 HC61 polymer 1 1 85 ? ? ? 
PRD_900007 H6A2 H6  H 0 0 N N N -4.679 -8.594  -21.056 -9.170 0.864  -1.134 AC1 3 HC62 polymer 1 1 86 ? ? ? 
PRD_900007 HOA6 H11 H 0 0 N N N -4.441 -9.717  -19.026 -8.003 2.424  -2.515 AC1 3 HO6B polymer 1 1 87 ? ? ? 
# 
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_900007 O2D C2D  SING N N 1  
PRD_900007 C2D C1D  SING N N 2  
PRD_900007 C2D C3D  SING N N 3  
PRD_900007 C1D O5D  SING N N 4  
PRD_900007 O5D C5D  SING N N 5  
PRD_900007 O3D C3D  SING N N 6  
PRD_900007 C3D C4D  SING N N 7  
PRD_900007 O6C C6C  SING N N 8  
PRD_900007 C4D C5D  SING N N 9  
PRD_900007 C4D O4D  SING N N 10 
PRD_900007 C5D C6D  SING N N 11 
PRD_900007 O5C C1C  SING N N 12 
PRD_900007 O5C C5C  SING N N 13 
PRD_900007 C6C C5C  SING N N 14 
PRD_900007 C6D O6D  SING N N 15 
PRD_900007 C1C O4D  SING N N 16 
PRD_900007 C1C C2C  SING N N 17 
PRD_900007 O3A C3A  SING N N 18 
PRD_900007 C5C C4C  SING N N 19 
PRD_900007 C3A C4A  SING N N 20 
PRD_900007 C3A C2A  SING N N 21 
PRD_900007 O4A C4A  SING N N 22 
PRD_900007 O2A C2A  SING N N 23 
PRD_900007 C2C O2C  SING N N 24 
PRD_900007 C2C C3C  SING N N 25 
PRD_900007 C4C C3C  SING N N 26 
PRD_900007 C4C O4C  SING N N 27 
PRD_900007 C6B C5B  SING N N 28 
PRD_900007 C4A C5A  SING N N 29 
PRD_900007 C2A C1A  SING N N 30 
PRD_900007 N4B C1A  SING N N 31 
PRD_900007 N4B C4B  SING N N 32 
PRD_900007 C5B C4B  SING N N 33 
PRD_900007 C5B O5B  SING N N 34 
PRD_900007 C3C O3C  SING N N 35 
PRD_900007 O4C C1B  SING N N 36 
PRD_900007 C1A C7A  SING N N 37 
PRD_900007 C4B C3B  SING N N 38 
PRD_900007 O5B C1B  SING N N 39 
PRD_900007 C5A C7A  DOUB N N 40 
PRD_900007 C5A C6A  SING N N 41 
PRD_900007 C3B O3B  SING N N 42 
PRD_900007 C3B C2B  SING N N 43 
PRD_900007 C1B C2B  SING N N 44 
PRD_900007 C6A O6A  SING N N 45 
PRD_900007 C2B O2B  SING N N 46 
PRD_900007 C1D O1D  SING N N 47 
PRD_900007 C1A H1A  SING N N 48 
PRD_900007 C2A H2A  SING N N 49 
PRD_900007 C3A H3A  SING N N 50 
PRD_900007 C4A H4A  SING N N 51 
PRD_900007 C6A H6A1 SING N N 52 
PRD_900007 C6A H6A2 SING N N 53 
PRD_900007 C7A H7A  SING N N 54 
PRD_900007 O2A HOA2 SING N N 55 
PRD_900007 O3A HOA3 SING N N 56 
PRD_900007 O4A HOA4 SING N N 57 
PRD_900007 O6A HOA6 SING N N 58 
PRD_900007 C1B H1B  SING N N 59 
PRD_900007 C2B H2B  SING N N 60 
PRD_900007 C3B H3B  SING N N 61 
PRD_900007 C4B H4B  SING N N 62 
PRD_900007 C5B H5B  SING N N 63 
PRD_900007 C6B H6B2 SING N N 64 
PRD_900007 C6B H6B3 SING N N 65 
PRD_900007 C6B H6B1 SING N N 66 
PRD_900007 N4B HN4  SING N N 67 
PRD_900007 O2B HOB2 SING N N 68 
PRD_900007 O3B HOB3 SING N N 69 
PRD_900007 C1C H1C  SING N N 70 
PRD_900007 C2C H2C  SING N N 71 
PRD_900007 C3C H3C  SING N N 72 
PRD_900007 C4C H4C  SING N N 73 
PRD_900007 C5C H5C  SING N N 74 
PRD_900007 C6C H6C2 SING N N 75 
PRD_900007 C6C H6C1 SING N N 76 
PRD_900007 O2C HOC2 SING N N 77 
PRD_900007 O3C HOC3 SING N N 78 
PRD_900007 O6C HOC6 SING N N 79 
PRD_900007 C1D H1D  SING N N 80 
PRD_900007 C2D H2D  SING N N 81 
PRD_900007 C3D H3D  SING N N 82 
PRD_900007 C4D H4D  SING N N 83 
PRD_900007 C5D H5D  SING N N 84 
PRD_900007 C6D H6D1 SING N N 85 
PRD_900007 C6D H6D2 SING N N 86 
PRD_900007 O2D HOD2 SING N N 87 
PRD_900007 O3D HOD3 SING N N 88 
PRD_900007 O6D HOD6 SING N N 89 
PRD_900007 O1D HOD1 SING N N 90 
# 
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_900007 SMILES           ACDLabs              12.01 "C1(C=C(C(C(C1O)O)O)CO)NC2C(C(C(OC2C)OC4C(C(C(OC3C(C(C(OC3CO)O)O)O)OC4CO)O)O)O)O"                                                                                                                                                                                    
PRD_900007 InChI            InChI                1.03  
;InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44

-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23
 +,24-,25-/m1/s1
;
PRD_900007 InChIKey         InChI                1.03  XUFXOAAUWZOOIT-WVJZLWNXSA-N                                                                                                                                                                                                                                          
PRD_900007 SMILES_CANONICAL CACTVS               3.385 
;C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@
 @H]1N[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O
;
PRD_900007 SMILES           CACTVS               3.385 
;C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O)O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(CO)[CH](
 O)[CH](O)[CH]4O
;
PRD_900007 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)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)
 CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
;
PRD_900007 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO"                                                                                                                                                                                    
# 
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_900007 "SYSTEMATIC NAME" ACDLabs              12.01 
;4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)
 -alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
;
PRD_900007 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 
;(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{R},3~{R},

4~{S},5~{S},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methy
 l-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-oxane-2,3,4-triol
;
# 
