Glycoside
GD011159
Name:
NoneFormula:
C28H27O10ClSSmiles:
O=C(CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 579.02 | Num_heavy_atoms: | 39 |
| TPSA: | 159.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD08552
Formula: C22H17O5ClS
Smiles:
O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.88 | Num_heavy_atoms: | 28 |
| TPSA: | 80.67 | NumAromaticRings: | 3 |
