Glycoside
GD040202
Name:
3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoateFormula:
C23H25O5N6ClSmiles:
C=CC(=O)OCCC[C@H]1O[C@H](n2c(NCc3ccc(Cl)cc3)nc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
C=CC(=O)OCCC.Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 488.93 | Num_heavy_atoms: | 34 |
| TPSA: | 157.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD08546
Formula: C13H10N6Cl
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)cc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.71 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
AD22085
Formula: C6H10O2
Smiles:
C=CC(=O)OCCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
