Glycoside
GD055522
Name:
NoneFormula:
C14H16O6N4Smiles:
O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ccc(-n2ccnn2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.3 | Num_heavy_atoms: | 24 |
| TPSA: | 157.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD25730
Formula: C8H8N4
Smiles:
Nc1ccc(-n2ccnn2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 56.73 | NumAromaticRings: | 2 |
