Glycoside
GD032615
Name:
NoneFormula:
C9H17O10SSmiles:
O=S(=O)([O-])C[C@@H]1O[C@H](OC(CO)CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)[O-].OCC(O)COSugarmoiety:
OCC(CO)OC(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -4.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 317.29 | Num_heavy_atoms: | 20 |
| TPSA: | 176.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD00413
Formula: CH3O3S
Smiles:
CS(=O)(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.1 | Num_heavy_atoms: | 5 |
| TPSA: | 57.2 | NumAromaticRings: | 0 |
