Glycoside
GD014478
Name:
NoneFormula:
C22H20O9N2Smiles:
O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Cn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.41 | Num_heavy_atoms: | 33 |
| TPSA: | 183.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD05644
Formula: C17H10O4N2
Smiles:
Cn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.28 | Num_heavy_atoms: | 23 |
| TPSA: | 82.21 | NumAromaticRings: | 3 |
