Glycoside
GD032019
Name:
NoneFormula:
C21H21O6ClSSmiles:
C#CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1Aglycone:
C#CCOc1ccc(Cc2ccsc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.9 | Num_heavy_atoms: | 28 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD20571
Formula: C15H11OClS
Smiles:
C#CCOc1ccc(Cc2ccsc2Cl)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 262.76 | Num_heavy_atoms: | 17 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
