Glycoside
GD151019
Name:
2-(6-amino-8-{2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C19H23O6N7Smiles:
COc1ccc(C=NNc2nc3c(N)ncnc3n2C2OC(CO)C(O)C2O)cc1OCAglycone:
COc1ccc(C=NNC2=Nc3c(N)ncnc3[N]2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 445.44 | Num_heavy_atoms: | 32 |
| TPSA: | 182.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD60270
Formula: C14H14O2N7
Smiles:
COc1ccc(C=NNC2=Nc3c(N)ncnc3[N]2)cc1OC| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.31 | Num_heavy_atoms: | 23 |
| TPSA: | 121.11 | NumAromaticRings: | 2 |
