Glycoside
GD010362
Name:
NoneFormula:
C20H23O5ClS2Smiles:
CCSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1Aglycone:
CCSc1ccc(Cc2ccsc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.98 | Num_heavy_atoms: | 27 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD08014
Formula: C14H13ClS2
Smiles:
CCSc1ccc(Cc2ccsc2Cl)cc1| HBA: | 0 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.83 | Num_heavy_atoms: | 16 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
