Glycoside
GD055939
Name:
NoneFormula:
C12H11O6N3Cl2Smiles:
O=C(Nc1c(Cl)cnnc1Cl)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Nc1c(Cl)cnnc1ClSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.12 | Num_heavy_atoms: | 21 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD28177
Formula: C6H3N3Cl2
Smiles:
Nc1c(Cl)cnnc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.0 | Num_heavy_atoms: | 9 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
