Glycoside
GD104841
Name:
NoneFormula:
C22H28O6S2Smiles:
CC(=O)O[C@@H]([C@H](O)C(SCc1ccccc1)SCc1ccccc1)[C@@H](O)[C@H](O)COAglycone:
c1ccc(CSCSCc2ccccc2)cc1Sugarmoiety:
CC(=O)OC(C(O)O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 452.59 | Num_heavy_atoms: | 30 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD17557
Formula: C15H16S2
Smiles:
c1ccc(CSCSCc2ccccc2)cc1| HBA: | 0 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 260.43 | Num_heavy_atoms: | 17 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
