Glycoside
GD069796
Name:
NoneFormula:
C13H17O9N3Smiles:
Cc1c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc([N+](=O)[O-])c1[N+](=O)[O-]Aglycone:
Cc1c(N)ccc([N+](=O)[O-])c1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.29 | Num_heavy_atoms: | 25 |
| TPSA: | 188.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD33077
Formula: C7H7O4N3
Smiles:
Cc1c(N)ccc([N+](=O)[O-])c1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 197.15 | Num_heavy_atoms: | 14 |
| TPSA: | 112.3 | NumAromaticRings: | 1 |
