Glycoside
GD042970
Name:
1-MethyladenosineFormula:
C11H15O4N5Smiles:
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=NAglycone:
Cn1cnc2c(c1=N)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 281.27 | Num_heavy_atoms: | 20 |
| TPSA: | 129.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD04672
Formula: C6H6N5
Smiles:
Cn1cnc2c(c1=N)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 68.13 | NumAromaticRings: | 1 |
