Glycoside
GD085832
Name:
NoneFormula:
C18H20O7N2SSmiles:
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1Aglycone:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.43 | Num_heavy_atoms: | 28 |
| TPSA: | 145.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD36254
Formula: C12H10O2N2S
Smiles:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.29 | Num_heavy_atoms: | 17 |
| TPSA: | 69.16 | NumAromaticRings: | 2 |
