Glycoside
GD038356
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoateFormula:
C19H20O7N5FSSmiles:
CCc1ccc(C(=O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1S(=O)(=O)FAglycone:
CCc1ccc(C(=O)OC)cc1S(=O)(=O)F.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.46 | Num_heavy_atoms: | 33 |
| TPSA: | 179.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23983
Formula: C10H11O4FS
Smiles:
CCc1ccc(C(=O)OC)cc1S(=O)(=O)F| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.26 | Num_heavy_atoms: | 16 |
| TPSA: | 60.44 | NumAromaticRings: | 1 |
