aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00611 | 3.46 | 307.36 | C16H11ON4S | O=C1C(=Cc2cccs2)c2ccccc2N1CC1=C[N]N=N1 |
|
AD00612 | 2.99 | 291.29 | C16H11O2N4 | O=C1C(=Cc2ccco2)c2ccccc2N1CC1=C[N]N=N1 |
|
AD00613 | 0.57 | 242.32 | C12H22O3N2 | CC(N)C(=O)NCCOC(=O)C1CCCCC1 |
|
AD00614 | 6.03 | 552.77 | C30H48O7S | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1 |
|
AD00615 | 2.01 | 370.8 | C19H15O3N4Cl | OCC(O)C(O)c1nn(-c2ccccc2)c2nc3cc(Cl)ccc3nc12 |
|
AD00616 | 3.83 | 394.55 | C23H38O5 | CCC1CC(C)C(=O)C=CC(C)=CC(C)C(CC)OC(=O)CC(O)C(C)C1O |
|
AD00617 | 3.01 | 414.38 | C22H14O5N4 | CC(=O)NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O |
|
AD00618 | 5.58 | 404.58 | C21H45O3N2P | CCCCCCCCCCCCCCOP(=O)(CCN1CCC(N)C1)OC |
|
AD00619 | 1.52 | 361.33 | C16H15O2N6F2 | O=C(NCCOCCNc1ncnc2c1N=C[N]2)c1ccc(F)c(F)c1 |
|
AD00620 | 1.18 | 369.41 | C18H21O3N6 | COc1cccc(CC(=O)NCCOCCNc2ncnc3c2N=C[N]3)c1 |