Glycoside
GD114278
Name:
9-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C11H14O5N4Smiles:
COC1C(CO)OC(n2cnc3c(O)ncnc32)C1OAglycone:
Oc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 122.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
