Glycoside
GD081405
Name:
NoneFormula:
C15H15O8N3Cl2Smiles:
CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
CCOC(=O)c1nc(Cl)nc(Cl)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.18 | Num_heavy_atoms: | 26 |
| TPSA: | 179.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD36665
Formula: C9H7O2N3Cl2
Smiles:
CCOC(=O)c1nc(Cl)nc(Cl)c1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.06 | Num_heavy_atoms: | 14 |
| TPSA: | 78.1 | NumAromaticRings: | 1 |
