aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04851 | 0.74 | 100.12 | C5H8O2 | CC=CCOC=O |
|
AD04852 | 6.37 | 426.64 | C28H42O3 | C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1 |
|
AD04853 | 3.31 | 349.47 | C20H31O4N | C=CC(C)=CCC1OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC1C |
|
AD04854 | 3.77 | 570.12 | C30H44O8NCl | COC(=O)CC1CC(O)(CCl)CC(C=CC(C)=CCC2OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC2C)O1 |
|
AD04855 | 3.27 | 252.27 | C15H12O2N2 | NC(=O)N1c2ccccc2C=C(O)c2ccccc21 |
|
AD04856 | 0.36 | 299.32 | C13H15ON8 | CCCNC(=O)Cn1cc(-c2nc(N)c3c(n2)[N]C=N3)cn1 |
|
AD04857 | 2.08 | 236.26 | C13H10N5 | C1=Nc2c(ncnc2N2CCc3ccccc32)[N]1 |
|
AD04858 | 3.36 | 302.46 | C20H30O2 | C#CC1(O)CCC2C3CCC4CC(O)CCC4C3CCC21C |
|
AD04859 | 2.08 | 260.28 | C15H10N5 | C#CC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1 |
|
AD04860 | 1.98 | 239.28 | C13H13N5 | Cn1cnc2c(NCc3ccccc3)ncnc21 |