aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22721 | 9.37 | 697.88 | C40H54O4N3F3 | CC1(C)CCC2(C(=O)OCc3cn(-c4ccccc4OC(F)(F)F)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD22722 | 2.27 | 270.34 | C13H12N5S | Nc1ncnc2c1N=C(SCCc1ccccc1)[N]2 |
|
AD22723 | 1.49 | 263.3 | C13H17O3N3 | COCc1cn(Cc2cc(OC)ccc2OC)nn1 |
|
AD22724 | 0.84 | 249.27 | C12H15O3N3 | COc1ccc(OC)c(Cn2cc(CO)nn2)c1 |
|
AD22725 | 2.76 | 337.38 | C19H19O3N3 | COCc1cn(CC(=O)OC(c2ccccc2)c2ccccc2)nn1 |
|
AD22726 | 2.1 | 323.35 | C18H17O3N3 | O=C(Cn1cc(CO)nn1)OC(c1ccccc1)c1ccccc1 |
|
AD22727 | 2.46 | 248.3 | C13H12O3S | CS(=O)(=O)c1cccc(-c2ccccc2O)c1 |
|
AD22728 | 3.04 | 189.28 | C11H11NS | Cc1ccc(Cc2cscn2)cc1 |
|
AD22729 | 7.32 | 1510.37 | C73H62O20N10Cl2S2 | CCCSC1=C(SCCC)C(=O)N(Cc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O |
|
AD22730 | 2.62 | 237.24 | C13H9ON4 | Cn1ccc2c1-c1c(ncnc1-c1ccoc1)[N]2 |