Glycoside
GD055696
Name:
NoneFormula:
C16H17O6N3Smiles:
O=C(Nc1ccc(-c2ccncn2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1ccc(-c2ccncn2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 347.33 | Num_heavy_atoms: | 25 |
| TPSA: | 152.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD28116
Formula: C10H9N3
Smiles:
Nc1ccc(-c2ccncn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.2 | Num_heavy_atoms: | 13 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
