Glycoside
GD025389
Name:
NoneFormula:
C14H11O7N3Cl2Smiles:
O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)n2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1c(Cl)c(Cl)cc2c1N=C(O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.14 | Num_heavy_atoms: | 24 |
| TPSA: | 151.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD16839
Formula: C9H2O3N3Cl2
Smiles:
O=[N+]([O-])c1c(Cl)c(Cl)cc2c1N=C(O)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 247.02 | Num_heavy_atoms: | 15 |
| TPSA: | 89.83 | NumAromaticRings: | 1 |
