Glycoside
GD015640
Name:
NoneFormula:
C14H20O7SSmiles:
O=S(=O)(CCc1ccccc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=[S](=O)CCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.37 | Num_heavy_atoms: | 22 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD11345
Formula: C8H9O2S
Smiles:
O=[S](=O)CCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.23 | Num_heavy_atoms: | 11 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
