Glycoside
GD025400
Name:
NoneFormula:
C22H23O7ClSSmiles:
CSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCO3)cc1Aglycone:
CSc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.93 | Num_heavy_atoms: | 30 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD16847
Formula: C16H13O2ClS
Smiles:
CSc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.79 | Num_heavy_atoms: | 19 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
