Glycoside
GD012979
Name:
NoneFormula:
C27H42O15S6Smiles:
OC[C@@H]1O[C@H](SSCc2cc(CSS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(CSS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
SSCc1cc(CSS)cc(CSS)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.78 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 15 |
| MolWt: | 799.02 | Num_heavy_atoms: | 48 |
| TPSA: | 270.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD09744
Formula: C9H12S6
Smiles:
SSCc1cc(CSS)cc(CSS)c1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.6 | Num_heavy_atoms: | 15 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
