Glycoside
GD058077
Name:
NoneFormula:
C13H16O9N2Smiles:
O=C(O)c1cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1Aglycone:
Nc1cc(C(=O)O)cc([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.28 | Num_heavy_atoms: | 24 |
| TPSA: | 182.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD27088
Formula: C7H6O4N2
Smiles:
Nc1cc(C(=O)O)cc([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.13 | Num_heavy_atoms: | 13 |
| TPSA: | 106.46 | NumAromaticRings: | 1 |
