Glycoside

GD003714
Name:
NoneFormula:
C36H52O20S4Smiles:
OC[C@@H]1O[C@H](SSCc2ccc(CSS[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c3ccccc23)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
SSCc1ccc(CSS)c2ccccc12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 20 | RingCount: | 6 |
HBD: | 14 | FractionCSP3: | 0.72 |
AlogP: | -4.15 | Num_rotatable_bonds: | 16 |
MolWt: | 933.06 | Num_heavy_atoms: | 60 |
TPSA: | 338.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD03332
Formula: C12H12S4
Smiles:
SSCc1ccc(CSS)c2ccccc12HBA: | 0 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.17 |
AlogP: | 5.0 | Num_rotatable_bonds: | 4 |
MolWt: | 284.5 | Num_heavy_atoms: | 16 |
TPSA: | 0.0 | NumAromaticRings: | 2 |