Glycoside
GD008825
Name:
NoneFormula:
C12H15O11NSSmiles:
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COS(=O)(=O)O.O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.31 | Num_heavy_atoms: | 25 |
| TPSA: | 185.89 | NumAromaticRings: | 1 |
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 |
AD00091
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 63.37 | NumAromaticRings: | 1 |
