Glycoside
GD038967
Name:
(2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diolFormula:
C20H24O4N6Smiles:
OC[C@H]1O[C@H](n2cnc3c(N4CCN(c5ccccc5)CC4)ncnc32)[C@@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCN(c3ccccc3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.45 | Num_heavy_atoms: | 30 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD16889
Formula: C15H15N6
Smiles:
C1=Nc2c(ncnc2N2CCN(c3ccccc3)CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.33 | Num_heavy_atoms: | 21 |
| TPSA: | 58.72 | NumAromaticRings: | 2 |
