Glycoside
GD066438
Name:
NoneFormula:
C15H18O6N4Smiles:
O=C(NCc1ccc(-n2ccnn2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCc1ccc(-n2ccnn2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 157.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD31805
Formula: C9H10N4
Smiles:
NCc1ccc(-n2ccnn2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.21 | Num_heavy_atoms: | 13 |
| TPSA: | 56.73 | NumAromaticRings: | 2 |
