aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11721 | 3.16 | 223.34 | C12H17ONS | CSCCCCC(=O)Nc1ccccc1 |
|
AD11722 | 6.12 | 648.62 | C36H28O10N2 | COc1ccc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)ccc1OC |
|
AD11723 | 5.52 | 680.62 | C36H28O12N2 | COc1ccc(C(=O)Nc2cc3ccc(O)c(OC)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3ccc(O)c(OC)c3oc2=O)ccc1OC |
|
AD11724 | 2.45 | 354.74 | C16H9O2N7Cl | O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1cc(-c2ccccc2)on1 |
|
AD11725 | 4.85 | 226.4 | C15H30O | C=CCCCCCCCCCCCCCO |
|
AD11726 | 9.37 | 1569.17 | C85H149O17N9 | CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(=O)NCCCC(=O)NCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO)(COCCC(=O)NCCCNC(=O)CCCCO)COCCC(=O)NCCCNC(=O)CCCCO)CCC32)C1 |
|
AD11727 | 1.55 | 270.25 | C12H9N7F | Nc1nc(NN=Cc2ccc(F)cc2)nc2c1N=C[N]2 |
|
AD11728 | 2.52 | 283.33 | C17H17O3N | O=C(NCCO)OCC1c2ccccc2-c2ccccc21 |
|
AD11729 | 2.35 | 252.3 | C14H14N5 | Cc1ccccc1CCNc1ncnc2c1N=C[N]2 |
|
AD11730 | 2.59 | 330.29 | C17H14O7 | COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O |