Glycoside
GD092845
Name:
2-(6-amino-8-{2-[(quinolin-4-yl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C20H20O4N8Smiles:
Nc1ncnc2c1nc(N/N=C/c1ccnc3ccccc13)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1ccnc3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.43 | Num_heavy_atoms: | 32 |
| TPSA: | 176.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD40369
Formula: C15H11N8
Smiles:
Nc1ncnc2c1N=C(NN=Cc1ccnc3ccccc13)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 303.31 | Num_heavy_atoms: | 23 |
| TPSA: | 115.54 | NumAromaticRings: | 3 |
