Glycoside
GD144052
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(piperidin-1-yl)-6,9-dihydro-1H-purin-6-oneFormula:
C15H21O5N5Smiles:
OCC1OC(n2c(N3CCCCC3)nc3c(O)ncnc32)C(O)C1OAglycone:
Oc1ncnc2c1N=C(N1CCCCC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 351.36 | Num_heavy_atoms: | 25 |
| TPSA: | 136.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD57907
Formula: C10H12ON5
Smiles:
Oc1ncnc2c1N=C(N1CCCCC1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.71 | NumAromaticRings: | 1 |
