Glycoside
GD032441
Name:
NoneFormula:
C23H25O7ClSSmiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCO3)cc1Aglycone:
CCOc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.96 | Num_heavy_atoms: | 31 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD20810
Formula: C17H15O3Cl
Smiles:
CCOc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.75 | Num_heavy_atoms: | 20 |
| TPSA: | 27.69 | NumAromaticRings: | 2 |
