Glycoside
GD127061
Name:
2-(6-amino-8-{2-[(1H-indol-3-yl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C19H20O4N8Smiles:
Nc1ncnc2c1nc(NN=Cc1c[nH]c3ccccc13)n2C1OC(CO)C(O)C1OAglycone:
Nc1ncnc2c1N=C(NN=Cc1c[nH]c3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.42 | Num_heavy_atoms: | 31 |
| TPSA: | 179.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD51434
Formula: C14H11N8
Smiles:
Nc1ncnc2c1N=C(NN=Cc1c[nH]c3ccccc13)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.3 | Num_heavy_atoms: | 22 |
| TPSA: | 118.44 | NumAromaticRings: | 3 |
