Glycoside
GD001313
Name:
NoneFormula:
C12H19O19S3Smiles:
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]Aglycone:
O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
COC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -5.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 563.47 | Num_heavy_atoms: | 34 |
| TPSA: | 296.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
