Glycoside
GD046242
Name:
NoneFormula:
C11H14O6N2Smiles:
O=[N+]([O-])c1cccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1Aglycone:
Nc1cccc([N+](=O)[O-])c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 125.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD25353
Formula: C6H6O2N2
Smiles:
Nc1cccc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 69.16 | NumAromaticRings: | 1 |
