Glycoside
GD030556
Name:
SALICIN PERSULFATEFormula:
C13H13O22S5Smiles:
O=S(=O)([O-])OCc1ccccc1O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]Aglycone:
COS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OCc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | -4.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 681.56 | Num_heavy_atoms: | 40 |
| TPSA: | 350.61 | NumAromaticRings: | 1 |
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 |
AD19768
Formula: C7H7O5S
Smiles:
O=S(=O)([O-])OCc1ccccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.2 | Num_heavy_atoms: | 13 |
| TPSA: | 86.66 | NumAromaticRings: | 1 |
