Glycoside
GD003994
Name:
NoneFormula:
C19H18O8NClSmiles:
O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
O=[N+]([O-])c1cccc(-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.79 | Num_heavy_atoms: | 28 |
| TPSA: | 142.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03553
Formula: C13H8O3NCl
Smiles:
O=[N+]([O-])c1cccc(-c2ccc(O)c(Cl)c2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.65 | Num_heavy_atoms: | 17 |
| TPSA: | 63.37 | NumAromaticRings: | 2 |
