Glycoside
...
GD040391

Name:
(2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol

Formula:
C42H68O27N6S4

Smiles:
OC[C@H]1O[C@H](S[C@H]2O[C@H](CSCc3cn(C[C@H]4O[C@H](O[C@H]5O[C@H](Cn6cc(CSC[C@H]7O[C@H](S[C@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@@H]8O)[C@H](O)[C@H](O)[C@@H]7O)nn6)[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@@H]4O)nn3)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O

Aglycone:
CSCc1cn(C)nn1.CSCc1cn(C)nn1

Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(SC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(SC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 8
HBD: 20 FractionCSP3: 0.9
AlogP: -11.65 Num_rotatable_bonds: 20
MolWt: 1217.29 Num_heavy_atoms: 79
TPSA: 530.63 NumAromaticRings: 2

Unique Aglycone
AD24626
Formula: C5H9N3S

Smiles:
CSCc1cn(C)nn1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.6
AlogP: 0.68 Num_rotatable_bonds: 2
MolWt: 143.22 Num_heavy_atoms: 9
TPSA: 30.71 NumAromaticRings: 1

Sugarmoiety
SD03586

OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(SC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(SC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O