Glycoside
GD034163
Name:
NoneFormula:
C12H15O7NSSmiles:
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.32 | Num_heavy_atoms: | 21 |
| TPSA: | 133.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD11065
Formula: C6H5O2NS
Smiles:
O=[N+]([O-])c1ccc(S)cc1| 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 |
