Glycoside
GD062550
Name:
2-[6-amino-8-(4-methylpiperazin-1-yl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C15H23O4N7Smiles:
CN1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
CN1CCN(C2=Nc3c(N)ncnc3[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.39 | Num_heavy_atoms: | 26 |
| TPSA: | 146.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD30322
Formula: C10H14N7
Smiles:
CN1CCN(C2=Nc3c(N)ncnc3[N]2)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 232.27 | Num_heavy_atoms: | 17 |
| TPSA: | 84.74 | NumAromaticRings: | 1 |
