aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14101 | 8.64 | 633.1 | C39H29O7Cl | O=C(CCCCOc1ccc(Cc2ccccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 |
|
AD14102 | 3.6 | 358.44 | C17H14O3N2S2 | CCOC(=O)c1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1 |
|
AD14103 | 3.4 | 351.49 | C20H33O4N | CC12CCC(O)CC1CCC1C2CCC2(C)C(C[N+](=O)[O-])CCC12O |
|
AD14104 | 2.27 | 268.35 | C15H24O4 | CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CC(=O)O |
|
AD14105 | 3.84 | 405.42 | C19H13O3N6S | O=C(Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2)c1ccccc1 |
|
AD14106 | -0.16 | 234.21 | C7H7O4N2FS | COS(=O)(=O)NC(=O)c1cccnc1F |
|
AD14107 | 1.56 | 193.25 | C8H9N4S | CCCSc1ncnc2c1C=N[N]2 |
|
AD14108 | 5.64 | 534.4 | C29H21O3N5Cl2 | C=NNc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1OC(C)=O)CCCC3=Cc1ccc(Cl)cc1 |
|
AD14109 | 2.05 | 268.3 | C14H14ON5 | COc1ccccc1CCNc1ncnc2c1N=C[N]2 |
|
AD14110 | 6.42 | 454.74 | C27H54O3N2 | CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)NCCCCCC |