Glycoside
GD123596
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(piperidin-1-yl)-6,9-dihydro-1H-purin-6-oneFormula:
C15H22O5N6Smiles:
N=c1nc(O)c2nc(N3CCCCC3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(N1CCCCC1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.38 | Num_heavy_atoms: | 26 |
| TPSA: | 163.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD49893
Formula: C10H13ON6
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(N1CCCCC1)=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 233.25 | Num_heavy_atoms: | 17 |
| TPSA: | 102.46 | NumAromaticRings: | 1 |
