Glycoside
GD021011
Name:
NoneFormula:
C22H23O6ClSSmiles:
CC#CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1Aglycone:
CC#CCOc1ccc(Cc2ccsc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.93 | Num_heavy_atoms: | 29 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD14420
Formula: C16H13OClS
Smiles:
CC#CCOc1ccc(Cc2ccsc2Cl)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.79 | Num_heavy_atoms: | 18 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
