Glycoside
GD034190
Name:
P-CYANO-N6-BENZYLADENOSINEFormula:
C18H18O4N6Smiles:
N#Cc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.38 | Num_heavy_atoms: | 28 |
| TPSA: | 149.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD21764
Formula: C13H9N6
Smiles:
N#Cc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.26 | Num_heavy_atoms: | 19 |
| TPSA: | 88.06 | NumAromaticRings: | 2 |
