Glycoside
GD029372
Name:
NoneFormula:
C21H19O6N3Cl2Smiles:
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(Cl)c(Cl)c1.O=CNc1cccc([N+](=O)[O-])c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.28 | Num_heavy_atoms: | 30 |
| TPSA: | 133.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD00764
Formula: C10H9NCl2
Smiles:
CNCc1ccc(Cl)c(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.07 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD07639
Formula: C7H6O3N2
Smiles:
O=CNc1cccc([N+](=O)[O-])c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.14 | Num_heavy_atoms: | 12 |
| TPSA: | 72.24 | NumAromaticRings: | 1 |
