Glycoside
GD050603
Name:
NoneFormula:
C12H16O7SSmiles:
Cc1ccc(S(=O)(=O)O[C@@H](C=O)[C@H](O)[C@H](O)CO)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1Sugarmoiety:
O=CC(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 304.32 | Num_heavy_atoms: | 20 |
| TPSA: | 121.13 | 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 |
