Glycoside
GD010631
Name:
NoneFormula:
C12H13O4ClSSmiles:
OC1O[C@H](CSc2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
CSc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.74 | Num_heavy_atoms: | 17 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD08186
Formula: C8H7ClS
Smiles:
CSc1ccc(Cl)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.65 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
