Glycoside
GD012872
Name:
NoneFormula:
C21H23O7ClSSmiles:
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)s1Aglycone:
COc1ccc(Cc2ccc3c(c2Cl)OCC3)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.92 | Num_heavy_atoms: | 29 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD09667
Formula: C15H13O2ClS
Smiles:
COc1ccc(Cc2ccc3c(c2Cl)OCC3)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.78 | Num_heavy_atoms: | 18 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
