Glycoside
GD014850
Name:
NoneFormula:
C9H18O10SSmiles:
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: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.3 | Num_heavy_atoms: | 20 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
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 |
