Glycoside
GD117199
Name:
2-(6-{2-[cyclohexyl(methyl)amino]ethyl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C19H29O4N5Smiles:
CN(CCc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C1CCCCC1Aglycone:
CN(CCc1ncnc2c1N=C[N]2)C1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.47 | Num_heavy_atoms: | 28 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD46690
Formula: C14H20N5
Smiles:
CN(CCc1ncnc2c1N=C[N]2)C1CCCCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.35 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
