Glycoside
GD040170
Name:
alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranosideFormula:
C12H22O14SSmiles:
O=S(=O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)OSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -5.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.36 | Num_heavy_atoms: | 27 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
