Glycoside
GD055970
Name:
NoneFormula:
C13H16O6N3ClSmiles:
CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1nc(Cl)ccc1NAglycone:
CNc1nc(Cl)ccc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.73 | Num_heavy_atoms: | 22 |
| TPSA: | 157.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD28188
Formula: C7H8N3Cl
Smiles:
CNc1nc(Cl)ccc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.6 | Num_heavy_atoms: | 10 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
