Glycoside
GD039151
Name:
(2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolFormula:
C20H21O4N7Smiles:
Nc1ncnc2c1nc(NCc1ccc3ncccc3c1)n2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(NCc1ccc3ncccc3c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.43 | Num_heavy_atoms: | 31 |
| TPSA: | 164.46 | NumAromaticRings: | 4 |
Unique Aglycone
AD12413
Formula: C15H12N7
Smiles:
Nc1ncnc2c1N=C(NCc1ccc3ncccc3c1)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 22 |
| TPSA: | 103.18 | NumAromaticRings: | 3 |
