Glycoside
GD006529
Name:
NoneFormula:
C20H19O9ClSSmiles:
O=C(CC(=O)c1cc(Cl)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1O)c1cccs1Aglycone:
O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.87 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD05393
Formula: C14H9O4ClS
Smiles:
O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1cccs1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.73 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
