Glycoside
GD076045
Name:
2-(6-amino-8-{2-[(pyridin-3-yl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C16H18O4N8Smiles:
Nc1ncnc2c1nc(N/N=C/c1cccnc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1cccnc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.37 | Num_heavy_atoms: | 28 |
| TPSA: | 176.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD35151
Formula: C11H9N8
Smiles:
Nc1ncnc2c1N=C(NN=Cc1cccnc1)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.25 | Num_heavy_atoms: | 19 |
| TPSA: | 115.54 | NumAromaticRings: | 2 |
