aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22011 | 2.15 | 406.29 | C15H14ON6SBr | Nc1ncnc2c1N=C(SCC(=O)NCCc1cccc(Br)c1)[N]2 |
|
AD22012 | -1.0 | 433.53 | C18H31O7N3S | CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CC(C)=O |
|
AD22013 | 2.9 | 312.28 | C17H12O6 | COc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OCO2 |
|
AD22014 | 1.36 | 234.3 | C13H18O2N2 | COc1ccccc1N1CCN(C(C)=O)CC1 |
|
AD22015 | 4.16 | 318.37 | C21H18O3 | Oc1ccc(Cc2c(O)ccc3c2CCc2cc(O)ccc2-3)cc1 |
|
AD22016 | 5.29 | 328.37 | C22H16O3 | Oc1cc(-c2ccccc2)c(O)c(O)c1-c1cccc2ccccc12 |
|
AD22017 | 1.69 | 296.32 | C15H20O6 | CC(C)CC(O)(CC(=O)O)C(=O)OCc1ccc(O)cc1 |
|
AD22018 | -0.84 | 242.23 | C11H14O6 | CC(=O)OCC12OC1C(O)C1C=COC(O)C12 |
|
AD22019 | 1.98 | 280.12 | C11H10ON3Br | Nc1nc(CO)cc(-c2ccc(Br)cc2)n1 |
|
AD22020 | 2.54 | 166.22 | C10H14O2 | CCC=CCC=CC=CC(=O)O |