Glycoside
GD000519
Name:
2-[6-amino-8-(4-methylpiperidin-1-yl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C16H24O4N6Smiles:
CC1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1Aglycone:
CC1CCN(C2=Nc3c(N)ncnc3[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.41 | Num_heavy_atoms: | 26 |
| TPSA: | 142.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00574
Formula: C11H15N6
Smiles:
CC1CCN(C2=Nc3c(N)ncnc3[N]2)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 231.28 | Num_heavy_atoms: | 17 |
| TPSA: | 81.5 | NumAromaticRings: | 1 |
