Glycoside
GD071009
Name:
NoneFormula:
C12H15O11N3Smiles:
O=[N+]([O-])Oc1ccc(N[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O[N+](=O)[O-])c1Aglycone:
Nc1ccc(O[N+](=O)[O-])cc1O[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.26 | Num_heavy_atoms: | 26 |
| TPSA: | 206.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD33539
Formula: C6H5O6N3
Smiles:
Nc1ccc(O[N+](=O)[O-])cc1O[N+](=O)[O-]| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 215.12 | Num_heavy_atoms: | 15 |
| TPSA: | 130.76 | NumAromaticRings: | 1 |
