Glycoside
GD001466
Name:
NoneFormula:
C19H21O5ClS2Smiles:
CSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1Aglycone:
CSc1ccc(Cc2ccsc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.95 | Num_heavy_atoms: | 26 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD01467
Formula: C13H11ClS2
Smiles:
CSc1ccc(Cc2ccsc2Cl)cc1| HBA: | 0 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.81 | Num_heavy_atoms: | 15 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
