Glycoside
GD022295
Name:
NoneFormula:
C21H19O8N2ClSmiles:
O=[N+]([O-])c1ccc2c(ccn2-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
O=[N+]([O-])c1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.83 | Num_heavy_atoms: | 31 |
| TPSA: | 147.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD15134
Formula: C15H9O3N2Cl
Smiles:
O=[N+]([O-])c1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.69 | Num_heavy_atoms: | 20 |
| TPSA: | 68.3 | NumAromaticRings: | 3 |
