data_PRDCC_900011
# 
_chem_comp.id                                    PRD_900011 
_chem_comp.name                                  "beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose" 
_chem_comp.type                                  saccharide 
_chem_comp.formula                               "C24 H42 O21" 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.formula_weight                        666.578 
_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_900011 C2B  C2  C 0 1 N N R -22.947 26.479 -11.551 7.864   -1.387 -0.646 BGC 1 C2   polymer 1 1 1  ? ? ? 
PRD_900011 C3B  C3  C 0 1 N N R -22.389 26.736 -12.931 6.569   -0.611 -0.910 BGC 1 C3   polymer 1 1 2  ? ? ? 
PRD_900011 C4B  C6  C 0 1 N N S -21.675 28.082 -13.008 6.335   0.375  0.239  BGC 1 C4   polymer 1 1 3  ? ? ? 
PRD_900011 C5B  C4  C 0 1 N N R -20.683 28.233 -11.849 7.550   1.297  0.366  BGC 1 C5   polymer 1 1 4  ? ? ? 
PRD_900011 C6B  C5  C 0 1 N N N -20.012 29.603 -11.813 7.349   2.246  1.549  BGC 1 C6   polymer 1 1 5  ? ? ? 
PRD_900011 C1B  C1  C 0 1 N N R -21.854 26.722 -10.529 9.019   -0.396 -0.486 BGC 1 C1   polymer 1 1 6  ? ? ? 
PRD_900011 O1B  O1  O 0 1 N N N -22.364 26.466 -9.251  10.220  -1.110 -0.184 BGC 1 O1   polymer 1 1 7  ? ? ? 
PRD_900011 O2B  O2  O 0 1 N N N -23.403 25.145 -11.530 8.131   -2.258 -1.747 BGC 1 O2   polymer 1 1 8  ? ? ? 
PRD_900011 O3B  O3  O 0 1 N N N -23.436 26.644 -13.872 5.472   -1.524 -0.988 BGC 1 O3   polymer 1 1 9  ? ? ? 
PRD_900011 O4B  O6  O 0 1 N N N -21.010 28.096 -14.246 5.169   1.155  -0.032 BGC 1 O4   polymer 1 1 10 ? ? ? 
PRD_900011 O5B  O4  O 0 1 N N N -21.366 28.034 -10.626 8.724   0.511  0.579  BGC 1 O5   polymer 1 1 11 ? ? ? 
PRD_900011 O6B  O5  O 0 1 N N N -20.972 30.655 -11.848 8.428   3.182  1.597  BGC 1 O6   polymer 1 1 12 ? ? ? 
PRD_900011 C2C  C8  C 0 1 N N R -20.216 29.019 -16.229 2.800   1.557  0.235  BGC 2 C2   polymer 1 1 13 ? ? ? 
PRD_900011 C3C  C9  C 0 1 N N R -20.363 30.108 -17.267 1.497   0.914  0.720  BGC 2 C3   polymer 1 1 14 ? ? ? 
PRD_900011 C4C  C12 C 0 1 N N S -21.855 30.368 -17.536 1.295   -0.418 -0.009 BGC 2 C4   polymer 1 1 15 ? ? ? 
PRD_900011 C5C  C10 C 0 1 N N R -22.549 30.671 -16.211 2.512   -1.314 0.235  BGC 2 C5   polymer 1 1 16 ? ? ? 
PRD_900011 C6C  C11 C 0 1 N N N -24.017 31.050 -16.361 2.345   -2.623 -0.539 BGC 2 C6   polymer 1 1 17 ? ? ? 
PRD_900011 C1C  C7  C 0 1 N N S -21.067 29.294 -15.010 3.958   0.584  0.470  BGC 2 C1   polymer 1 1 18 ? ? ? 
PRD_900011 O2C  O7  O 0 1 N N N -18.868 28.939 -15.841 3.035   2.765  0.961  BGC 2 O2   polymer 1 1 19 ? ? ? 
PRD_900011 O3C  O8  O 0 1 N N N -19.675 29.750 -18.456 0.400   1.784  0.438  BGC 2 O3   polymer 1 1 20 ? ? ? 
PRD_900011 O4C  O11 O 0 1 N N N -22.022 31.372 -18.526 0.120   -1.062 0.488  BGC 2 O4   polymer 1 1 21 ? ? ? 
PRD_900011 O5C  O9  O 0 1 N N N -22.411 29.539 -15.383 3.693   -0.644 -0.210 BGC 2 O5   polymer 1 1 22 ? ? ? 
PRD_900011 O6C  O10 O 0 1 N N N -24.590 31.399 -15.109 3.423   -3.506 -0.221 BGC 2 O6   polymer 1 1 23 ? ? ? 
PRD_900011 C2D  C14 C 0 1 N N R -23.150 32.260 -20.386 -2.241  -1.553 0.316  BGC 3 C2   polymer 1 1 24 ? ? ? 
PRD_900011 C3D  C15 C 0 1 N N R -23.954 31.943 -21.651 -3.527  -1.136 -0.403 BGC 3 C3   polymer 1 1 25 ? ? ? 
PRD_900011 C4D  C18 C 0 1 N N S -23.320 30.809 -22.446 -3.748  0.366  -0.202 BGC 3 C4   polymer 1 1 26 ? ? ? 
PRD_900011 C5D  C16 C 0 1 N N R -22.963 29.696 -21.467 -2.523  1.127  -0.716 BGC 3 C5   polymer 1 1 27 ? ? ? 
PRD_900011 C6D  C17 C 0 1 N N N -22.281 28.494 -22.147 -2.710  2.625  -0.463 BGC 3 C6   polymer 1 1 28 ? ? ? 
PRD_900011 C1D  C13 C 0 1 N N S -22.883 31.018 -19.591 -1.074  -0.718 -0.218 BGC 3 C1   polymer 1 1 29 ? ? ? 
PRD_900011 O2D  O12 O 0 1 N N N -23.857 33.147 -19.546 -1.986  -2.938 0.075  BGC 3 O2   polymer 1 1 30 ? ? ? 
PRD_900011 O3D  O13 O 0 1 N N N -24.026 33.147 -22.356 -4.634  -1.859 0.140  BGC 3 O3   polymer 1 1 31 ? ? ? 
PRD_900011 O4D  O16 O 0 1 N N N -24.235 30.249 -23.378 -4.906  0.781  -0.929 BGC 3 O4   polymer 1 1 32 ? ? ? 
PRD_900011 O5D  O14 O 0 1 N N N -22.174 30.145 -20.420 -1.357  0.670  -0.028 BGC 3 O5   polymer 1 1 33 ? ? ? 
PRD_900011 O6D  O15 O 0 1 N N N -21.113 28.843 -22.865 -1.621  3.345  -1.045 BGC 3 O6   polymer 1 1 34 ? ? ? 
PRD_900011 C2E  C20 C 0 1 N N R -24.861 29.871 -25.636 -7.270  1.282  -1.009 BGC 4 C2   polymer 1 1 35 ? ? ? 
PRD_900011 C3E  C21 C 0 1 N N S -25.290 30.519 -26.961 -8.578  1.137  -0.225 BGC 4 C3   polymer 1 1 36 ? ? ? 
PRD_900011 C4E  C22 C 0 1 N N S -26.142 31.750 -26.685 -8.797  -0.340 0.115  BGC 4 C4   polymer 1 1 37 ? ? ? 
PRD_900011 C5E  C23 C 0 1 N N R -25.551 32.674 -25.636 -7.589  -0.859 0.900  BGC 4 C5   polymer 1 1 38 ? ? ? 
PRD_900011 C6E  C24 C 0 1 N N N -26.444 33.856 -25.290 -7.772  -2.350 1.191  BGC 4 C6   polymer 1 1 39 ? ? ? 
PRD_900011 C1E  C19 C 0 1 N N S -24.369 30.923 -24.644 -6.121  0.700  -0.181 BGC 4 C1   polymer 1 1 40 ? ? ? 
PRD_900011 O2E  O17 O 0 1 N N N -23.823 28.925 -25.863 -7.020  2.664  -1.269 BGC 4 O2   polymer 1 1 41 ? ? ? 
PRD_900011 O3E  O18 O 0 1 N N N -25.963 29.581 -27.746 -9.667  1.610  -1.020 BGC 4 O3   polymer 1 1 42 ? ? ? 
PRD_900011 O4E  O19 O 0 1 N N N -26.318 32.455 -27.891 -9.977  -0.479 0.909  BGC 4 O4   polymer 1 1 43 ? ? ? 
PRD_900011 O5E  O20 O 0 1 N N N -25.338 31.916 -24.461 -6.402  -0.667 0.127  BGC 4 O5   polymer 1 1 44 ? ? ? 
PRD_900011 O6E  O21 O 0 1 N N N -25.768 34.703 -24.377 -6.703  -2.808 2.022  BGC 4 O6   polymer 1 1 45 ? ? ? 
PRD_900011 H2B  H3  H 0 1 N N N -23.778 27.175 -11.362 7.757   -1.973 0.267  BGC 1 H2   polymer 1 1 46 ? ? ? 
PRD_900011 H3B  H5  H 0 1 N N N -21.646 25.953 -13.143 6.656   -0.065 -1.849 BGC 1 H3   polymer 1 1 47 ? ? ? 
PRD_900011 H4B  H11 H 0 1 N N N -22.419 28.890 -12.953 6.198   -0.176 1.170  BGC 1 H4   polymer 1 1 48 ? ? ? 
PRD_900011 H5B  H7  H 0 1 N N N -19.900 27.469 -11.966 7.662   1.878  -0.550 BGC 1 H5   polymer 1 1 49 ? ? ? 
PRD_900011 H6B  H9  H 0 1 N N N -19.346 29.698 -12.683 7.325   1.671  2.475  BGC 1 H6C1 polymer 1 1 50 ? ? ? 
PRD_900011 H6BA H8  H 0 0 N N N -19.422 29.688 -10.889 6.408   2.782  1.430  BGC 1 H6C2 polymer 1 1 51 ? ? ? 
PRD_900011 H1B  H2  H 0 1 N N N -21.037 26.017 -10.740 9.151   0.162  -1.413 BGC 1 H1   polymer 1 1 52 ? ? ? 
PRD_900011 HO1B H1  H 0 0 N N N -21.686 26.616 -8.603  10.996  -0.543 -0.068 BGC 1 HA   polymer 1 1 53 ? ? ? 
PRD_900011 HO2B H4  H 0 0 N N N -24.085 25.033 -12.182 8.940   -2.778 -1.649 BGC 1 HB   polymer 1 1 54 ? ? ? 
PRD_900011 HO3B H6  H 0 0 N N N -23.094 26.804 -14.744 5.558   -2.182 -1.691 BGC 1 HC   polymer 1 1 55 ? ? ? 
PRD_900011 HO6B H10 H 0 0 N N N -20.525 31.493 -11.824 8.366   3.816  2.325  BGC 1 H6   polymer 1 1 56 ? ? ? 
PRD_900011 H2C  H13 H 0 1 N N N -20.538 28.066 -16.673 2.722   1.781  -0.829 BGC 2 H2   polymer 1 1 57 ? ? ? 
PRD_900011 H3C  H15 H 0 1 N N N -19.928 31.032 -16.858 1.555   0.737  1.794  BGC 2 H3   polymer 1 1 58 ? ? ? 
PRD_900011 H4C  H21 H 0 1 N N N -22.281 29.428 -17.918 1.187   -0.235 -1.078 BGC 2 H4   polymer 1 1 59 ? ? ? 
PRD_900011 H5C  H17 H 0 1 N N N -22.029 31.523 -15.749 2.596   -1.530 1.300  BGC 2 H5   polymer 1 1 60 ? ? ? 
PRD_900011 H6C  H19 H 0 1 N N N -24.567 30.195 -16.781 2.350   -2.416 -1.609 BGC 2 H6C1 polymer 1 1 61 ? ? ? 
PRD_900011 H6CA H18 H 0 0 N N N -24.098 31.909 -17.044 1.400   -3.091 -0.264 BGC 2 H6C2 polymer 1 1 62 ? ? ? 
PRD_900011 H1C  H12 H 0 1 N N N -20.649 30.142 -14.448 4.062   0.394  1.538  BGC 2 H1   polymer 1 1 63 ? ? ? 
PRD_900011 HO2C H14 H 0 0 N N N -18.328 28.766 -16.603 3.848   3.224  0.708  BGC 2 HB   polymer 1 1 64 ? ? ? 
PRD_900011 HO3C H16 H 0 0 N N N -19.774 30.441 -19.100 0.465   2.650  0.863  BGC 2 HC   polymer 1 1 65 ? ? ? 
PRD_900011 HO6C H20 H 0 0 N N N -25.503 31.630 -15.232 3.382   -4.357 -0.677 BGC 2 H6   polymer 1 1 66 ? ? ? 
PRD_900011 H2D  H23 H 0 1 N N N -22.190 32.706 -20.685 -2.351  -1.383 1.387  BGC 3 H2   polymer 1 1 67 ? ? ? 
PRD_900011 H3D  H25 H 0 1 N N N -24.962 31.627 -21.345 -3.437  -1.352 -1.468 BGC 3 H3   polymer 1 1 68 ? ? ? 
PRD_900011 H4D  H31 H 0 1 N N N -22.410 31.169 -22.948 -3.888  0.575  0.859  BGC 3 H4   polymer 1 1 69 ? ? ? 
PRD_900011 H5D  H27 H 0 1 N N N -23.911 29.324 -21.052 -2.407  0.951  -1.785 BGC 3 H5   polymer 1 1 70 ? ? ? 
PRD_900011 H6D  H29 H 0 1 N N N -22.997 28.037 -22.846 -2.737  2.812  0.610  BGC 3 H6C1 polymer 1 1 71 ? ? ? 
PRD_900011 H6DA H28 H 0 0 N N N -22.008 27.763 -21.371 -3.645  2.955  -0.914 BGC 3 H6C2 polymer 1 1 72 ? ? ? 
PRD_900011 H1D  H22 H 0 1 N N N -23.824 30.578 -19.230 -0.939  -0.919 -1.281 BGC 3 H1   polymer 1 1 73 ? ? ? 
PRD_900011 HO2D H24 H 0 0 N N N -24.045 33.950 -20.018 -1.182  -3.270 0.497  BGC 3 HB   polymer 1 1 74 ? ? ? 
PRD_900011 HO3D H26 H 0 0 N N N -24.517 33.016 -23.159 -4.558  -2.819 0.053  BGC 3 HC   polymer 1 1 75 ? ? ? 
PRD_900011 HO6D H30 H 0 0 N N N -20.739 28.064 -23.260 -1.673  4.303  -0.923 BGC 3 H6   polymer 1 1 76 ? ? ? 
PRD_900011 H2E  H33 H 0 1 N N N -25.736 29.366 -25.200 -7.348  0.742  -1.952 BGC 4 H2   polymer 1 1 77 ? ? ? 
PRD_900011 H3E  H35 H 0 1 N N N -24.379 30.849 -27.482 -8.519  1.719  0.695  BGC 4 H3   polymer 1 1 78 ? ? ? 
PRD_900011 H4E  H37 H 0 1 N N N -27.121 31.406 -26.319 -8.907  -0.914 -0.806 BGC 4 H4   polymer 1 1 79 ? ? ? 
PRD_900011 H5E  H39 H 0 1 N N N -24.592 33.060 -26.012 -7.503  -0.313 1.839  BGC 4 H5   polymer 1 1 80 ? ? ? 
PRD_900011 H6E  H41 H 0 1 N N N -27.375 33.491 -24.832 -7.767  -2.907 0.254  BGC 4 H6C1 polymer 1 1 81 ? ? ? 
PRD_900011 H6EA H40 H 0 0 N N N -26.681 34.418 -26.206 -8.722  -2.507 1.702  BGC 4 H6C2 polymer 1 1 82 ? ? ? 
PRD_900011 H1E  H32 H 0 1 N N N -23.408 31.340 -24.980 -6.017  1.267  0.744  BGC 4 H1   polymer 1 1 83 ? ? ? 
PRD_900011 HO2E H34 H 0 0 N N N -24.123 28.267 -26.480 -6.203  2.830  -1.759 BGC 4 HB   polymer 1 1 84 ? ? ? 
PRD_900011 HO3E H36 H 0 0 N N N -26.227 29.984 -28.565 -9.591  2.539  -1.278 BGC 4 HC   polymer 1 1 85 ? ? ? 
PRD_900011 HO4E H38 H 0 0 N N N -26.849 33.227 -27.733 -10.782 -0.164 0.475  BGC 4 HD   polymer 1 1 86 ? ? ? 
PRD_900011 HO6E H42 H 0 0 N N N -26.324 35.442 -24.159 -6.754  -3.747 2.247  BGC 4 H6   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_900011 O1B C1B  SING N N 1  
PRD_900011 C1B C2B  SING N N 2  
PRD_900011 C1B O5B  SING N N 3  
PRD_900011 C2B C3B  SING N N 4  
PRD_900011 C2B O2B  SING N N 5  
PRD_900011 C3B O3B  SING N N 6  
PRD_900011 C3B C4B  SING N N 7  
PRD_900011 O5B C5B  SING N N 8  
PRD_900011 C5B C4B  SING N N 9  
PRD_900011 C5B C6B  SING N N 10 
PRD_900011 C6B O6B  SING N N 11 
PRD_900011 C4B O4B  SING N N 12 
PRD_900011 O4B C1C  SING N N 13 
PRD_900011 C1C C2C  SING N N 14 
PRD_900011 C1C O5C  SING N N 15 
PRD_900011 C2C O2C  SING N N 16 
PRD_900011 C2C C3C  SING N N 17 
PRD_900011 C3C O3C  SING N N 18 
PRD_900011 C3C C4C  SING N N 19 
PRD_900011 O5C C5C  SING N N 20 
PRD_900011 C5C C6C  SING N N 21 
PRD_900011 C5C C4C  SING N N 22 
PRD_900011 C6C O6C  SING N N 23 
PRD_900011 C4C O4C  SING N N 24 
PRD_900011 O4C C1D  SING N N 25 
PRD_900011 C1D O5D  SING N N 26 
PRD_900011 C1D C2D  SING N N 27 
PRD_900011 C2D C3D  SING N N 28 
PRD_900011 C2D O2D  SING N N 29 
PRD_900011 C3D C4D  SING N N 30 
PRD_900011 C3D O3D  SING N N 31 
PRD_900011 O5D C5D  SING N N 32 
PRD_900011 C5D C6D  SING N N 33 
PRD_900011 C5D C4D  SING N N 34 
PRD_900011 C6D O6D  SING N N 35 
PRD_900011 C4D O4D  SING N N 36 
PRD_900011 O4D C1E  SING N N 37 
PRD_900011 C1E C2E  SING N N 38 
PRD_900011 C1E O5E  SING N N 39 
PRD_900011 C2E O2E  SING N N 40 
PRD_900011 C2E C3E  SING N N 41 
PRD_900011 C3E O3E  SING N N 42 
PRD_900011 C3E C4E  SING N N 43 
PRD_900011 C4E O4E  SING N N 44 
PRD_900011 C4E C5E  SING N N 45 
PRD_900011 O5E C5E  SING N N 46 
PRD_900011 C5E C6E  SING N N 47 
PRD_900011 C6E O6E  SING N N 48 
PRD_900011 O1B HO1B SING N N 49 
PRD_900011 C1B H1B  SING N N 50 
PRD_900011 C2B H2B  SING N N 51 
PRD_900011 O2B HO2B SING N N 52 
PRD_900011 C3B H3B  SING N N 53 
PRD_900011 O3B HO3B SING N N 54 
PRD_900011 C5B H5B  SING N N 55 
PRD_900011 C6B H6BA SING N N 56 
PRD_900011 C6B H6B  SING N N 57 
PRD_900011 O6B HO6B SING N N 58 
PRD_900011 C4B H4B  SING N N 59 
PRD_900011 C1C H1C  SING N N 60 
PRD_900011 C2C H2C  SING N N 61 
PRD_900011 O2C HO2C SING N N 62 
PRD_900011 C3C H3C  SING N N 63 
PRD_900011 O3C HO3C SING N N 64 
PRD_900011 C5C H5C  SING N N 65 
PRD_900011 C6C H6CA SING N N 66 
PRD_900011 C6C H6C  SING N N 67 
PRD_900011 O6C HO6C SING N N 68 
PRD_900011 C4C H4C  SING N N 69 
PRD_900011 C1D H1D  SING N N 70 
PRD_900011 C2D H2D  SING N N 71 
PRD_900011 O2D HO2D SING N N 72 
PRD_900011 C3D H3D  SING N N 73 
PRD_900011 O3D HO3D SING N N 74 
PRD_900011 C5D H5D  SING N N 75 
PRD_900011 C6D H6DA SING N N 76 
PRD_900011 C6D H6D  SING N N 77 
PRD_900011 O6D HO6D SING N N 78 
PRD_900011 C4D H4D  SING N N 79 
PRD_900011 C1E H1E  SING N N 80 
PRD_900011 C2E H2E  SING N N 81 
PRD_900011 O2E HO2E SING N N 82 
PRD_900011 C3E H3E  SING N N 83 
PRD_900011 O3E HO3E SING N N 84 
PRD_900011 C4E H4E  SING N N 85 
PRD_900011 O4E HO4E SING N N 86 
PRD_900011 C5E H5E  SING N N 87 
PRD_900011 C6E H6EA SING N N 88 
PRD_900011 C6E H6E  SING N N 89 
PRD_900011 O6E HO6E 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_900011 SMILES           ACDLabs              10.04 "O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO"                                                                                                                                                                                 
PRD_900011 SMILES_CANONICAL CACTVS               3.341 
;OC[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[C@@H]3CO)O[C@H]4[C@H](O)[C@@
 H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]1O
;
PRD_900011 SMILES           CACTVS               3.341 
;OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O)O[CH]4CO)[C
 H](O)[CH](O)[CH]1O
;
PRD_900011 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;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[C@@
 H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O
;
PRD_900011 SMILES           "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O"                                                                                                                                                                               
PRD_900011 InChI            InChI                1.03  
;InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33

)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,2
 3+,24+/m1/s1
;
PRD_900011 InChIKey         InChI                1.03  LUEWUZLMQUOBSB-HGDSAIHNSA-N                                                                                                                                                                                                                                       
# 
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_900011 "SYSTEMATIC NAME" ACDLabs              10.04 "beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose"                                                                                                                                                    
PRD_900011 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trih

ydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-
 2,3,4-triol
;
# 
