Glycoside
GD009612
Name:
NoneFormula:
C13H18O8SSmiles:
COc1ccc(S(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc([S](=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.35 | Num_heavy_atoms: | 22 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD07523
Formula: C7H7O3S
Smiles:
COc1ccc([S](=O)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 171.2 | Num_heavy_atoms: | 11 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
