Glycoside
GD085078
Name:
2-(6-amino-8-{2-[(3-hydroxyphenyl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H19O5N7Smiles:
Nc1ncnc2c1nc(N/N=C/c1cccc(O)c1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1cccc(O)c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.38 | Num_heavy_atoms: | 29 |
| TPSA: | 184.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD38073
Formula: C12H10ON7
Smiles:
Nc1ncnc2c1N=C(NN=Cc1cccc(O)c1)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 122.88 | NumAromaticRings: | 2 |
