Glycoside
GD034832
Name:
NoneFormula:
C20H22O8N2Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccccc2-c2cccc([N+](=O)[O-])c2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1cccc(-c2ccccc2O)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 151.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD22092
Formula: C12H9O3N
Smiles:
O=[N+]([O-])c1cccc(-c2ccccc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.21 | Num_heavy_atoms: | 16 |
| TPSA: | 63.37 | NumAromaticRings: | 2 |
