Glycoside
GD040506
Name:
3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoseFormula:
C8H16O12S2Smiles:
CO[C@@H]1[C@H](OS(=O)(=O)O)[C@H](O)O[C@H](COS(=O)(=O)O)[C@H]1OCAglycone:
COS(=O)(=O)O.O=S(=O)(O)OSugarmoiety:
COC1C(O)OC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.34 | Num_heavy_atoms: | 22 |
| TPSA: | 175.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
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 |
