Glycoside
GD011973
Name:
NoneFormula:
C21H22O9N2Smiles:
COc1cc(-n2ccc3cc([N+](=O)[O-])ccc32)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(-n2ccc3cc([N+](=O)[O-])ccc32)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 156.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD09065
Formula: C15H12O4N2
Smiles:
COc1cc(-n2ccc3cc([N+](=O)[O-])ccc32)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 77.53 | NumAromaticRings: | 3 |
