Glycoside
GD039136
Name:
[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]sulfonic acidFormula:
C6H12O9SSmiles:
O=S(=O)(O)OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.22 | Num_heavy_atoms: | 16 |
| TPSA: | 153.75 | 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 |
