Glycoside
GD047021
Name:
NoneFormula:
C13H18O7SSmiles:
Cc1ccc(S(=O)(=O)[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.35 | Num_heavy_atoms: | 21 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD00423
Formula: C7H7O2S
Smiles:
Cc1ccc([S](=O)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.2 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
