aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21121 | 2.48 | 408.27 | C19H17O2N6Cl2 | O=C(Cc1c(Cl)cccc1Cl)NCCOCCNc1ncnc2c1N=C[N]2 |
|
AD21122 | 1.13 | 376.41 | C20H24O7 | COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2CO)ccc1O |
|
AD21123 | 2.16 | 176.22 | C10H12ON2 | OC1=NN(c2ccccc2)CCC1 |
|
AD21124 | 3.83 | 304.3 | C19H12O4 | O=C1C=Cc2cc(O)c(O)c3cc(-c4ccccc4O)cc1c23 |
|
AD21125 | -0.79 | 117.1 | C4H7O3N | CNC(=O)CC(=O)O |
|
AD21126 | 4.6 | 439.5 | C19H28O5NF3S | COS(=O)(=O)NC(=O)CCCCCCCCCCOc1cccc(C(F)(F)F)c1 |
|
AD21127 | -1.29 | 176.22 | C7H16O3N2 | CN(CCO)CCC(N)C(=O)O |
|
AD21128 | 1.43 | 290.69 | C12H9ON7Cl | Cc1ccc(C(=O)NNc2nc(Cl)nc3c2N=C[N]3)[nH]1 |
|
AD21129 | 8.34 | 575.92 | C36H65O4N | CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)Cc1ccc(C)cc1 |
|
AD21130 | -1.32 | 175.23 | C7H17O2N3 | CN(CCN)CCC(N)C(=O)O |