aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05411 | -2.03 | 240.23 | C7H12O7S | O=S(=O)(O)CC1C(O)OC2COC1C2O |
|
AD05412 | 2.88 | 291.22 | C15H20ON2Cl2 | ONCCCc1ccc(N(CCCl)CCCl)cc1 |
|
AD05413 | 3.87 | 394.38 | C21H18O6N2 | COc1ccc(N=Nc2c(O)cc(O)c3c(O)c4c(cc23)CCC(O)C4=O)cc1 |
|
AD05414 | 4.97 | 409.52 | C25H25N6 | Cc1ccc(C)c(Cn2c(C)c(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1 |
|
AD05415 | 1.76 | 177.25 | C11H15ON | CN(C)c1ccc(C=CCO)cc1 |
|
AD05416 | 2.46 | 270.34 | C13H12N5S | CC(SC1=N[N]c2ncnc(N)c21)c1ccccc1 |
|
AD05417 | 0.87 | 206.25 | C8H8N5S | Nc1ncnc2c1C(SC1CC1)=N[N]2 |
|
AD05418 | 0.87 | 279.2 | C12H6ON4F3 | NC(=O)C1=N[N]C(C#Cc2ccc(C(F)(F)F)cc2)=N1 |
|
AD05419 | 2.36 | 357.36 | C18H13ON8 | OCc1cnn(-c2nc3c(c(Nc4ccc5ccccc5n4)n2)N=C[N]3)c1 |
|
AD05420 | 6.8 | 600.84 | C36H56O7 | CC(=O)OCC12C(OC(C)=O)CC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2OC(C)=O |