Glycoside
GD016419
Name:
NoneFormula:
C18H19O8NSmiles:
O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
O=[N+]([O-])c1ccc(-c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.35 | Num_heavy_atoms: | 27 |
| TPSA: | 142.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD11826
Formula: C12H9O3N
Smiles:
O=[N+]([O-])c1ccc(-c2ccc(O)cc2)cc1| 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 |
