Glycoside
GD027010
Name:
NoneFormula:
C25H26O10N4Smiles:
COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 542.5 | Num_heavy_atoms: | 39 |
| TPSA: | 199.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD17780
Formula: C19H15O5N4
Smiles:
COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC1=C[N]N=N1| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 379.35 | Num_heavy_atoms: | 28 |
| TPSA: | 117.49 | NumAromaticRings: | 2 |
