Glycoside
GD120246
Name:
2-[6-amino-8-(2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}hydrazin-1-yl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C25H27O6N7Smiles:
COc1cc(C=NNc2nc3c(N)ncnc3n2C2OC(CO)C(O)C2O)ccc1OCc1ccccc1Aglycone:
COc1cc(C=NNC2=Nc3c(N)ncnc3[N]2)ccc1OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.53 | Num_heavy_atoms: | 38 |
| TPSA: | 182.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD48280
Formula: C20H18O2N7
Smiles:
COc1cc(C=NNC2=Nc3c(N)ncnc3[N]2)ccc1OCc1ccccc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.41 | Num_heavy_atoms: | 29 |
| TPSA: | 121.11 | NumAromaticRings: | 3 |
