Glycoside
GD018441
Name:
NoneFormula:
C15H16O24S5Smiles:
O=c1ccc2cc(O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)c(OS(=O)(=O)O)cc2o1Aglycone:
COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=c1ccc2cc(O)c(OS(=O)(=O)O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 740.6 | Num_heavy_atoms: | 44 |
| TPSA: | 366.67 | NumAromaticRings: | 2 |
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 |
AD13009
Formula: C9H6O7S
Smiles:
O=c1ccc2cc(O)c(OS(=O)(=O)O)cc2o1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.21 | Num_heavy_atoms: | 17 |
| TPSA: | 114.04 | NumAromaticRings: | 2 |
