Glycoside
GD039237
Name:
2,3,6-tri-o-sulfonato-beta-d-glucopyranoseFormula:
C6H9O15S3Smiles:
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1OAglycone:
COS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -4.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.32 | Num_heavy_atoms: | 24 |
| TPSA: | 248.98 | 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 |
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
