Glycoside
GD034114
Name:
NoneFormula:
C9H11O8N3Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]Aglycone:
O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.2 | Num_heavy_atoms: | 20 |
| TPSA: | 167.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD10163
Formula: C4H3O4N3
Smiles:
O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.09 | Num_heavy_atoms: | 11 |
| TPSA: | 108.86 | NumAromaticRings: | 1 |
