Glycoside
GD061614
Name:
NoneFormula:
C13H15O8NSSmiles:
COC(=O)[C@]1(Sc2ccccc2[N+](=O)[O-])OC[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
O=[N+]([O-])c1ccccc1SSugarmoiety:
COC(=O)C1(O)OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.33 | Num_heavy_atoms: | 23 |
| TPSA: | 139.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD24562
Formula: C6H5O2NS
Smiles:
O=[N+]([O-])c1ccccc1S| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.18 | Num_heavy_atoms: | 10 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
