Glycoside
GD017381
Name:
NoneFormula:
C11H14O7N4Smiles:
Cc1onc(-c2nc([C@H](O)[C@H](O)[C@H](O)CO)c[nH]2)c1[N+](=O)[O-]Aglycone:
Cc1onc(-c2ncc[nH]2)c1[N+](=O)[O-]Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 314.25 | Num_heavy_atoms: | 22 |
| TPSA: | 178.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD12408
Formula: C7H6O3N4
Smiles:
Cc1onc(-c2ncc[nH]2)c1[N+](=O)[O-]| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.15 | Num_heavy_atoms: | 14 |
| TPSA: | 97.85 | NumAromaticRings: | 2 |
