aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01021 | 3.66 | 322.39 | C18H20ON5 | CCCOc1ccc2c(c1)C(Nc1ncnc3c1N=C[N]3)CCC2 |
|
AD01022 | 2.55 | 389.45 | C21H27O6N | CC1(C)COc2cc(CCCCOCCCO)cc3c(=O)c(C(=O)O)cn1c23 |
|
AD01023 | 1.15 | 369.35 | C15H15O8NS | Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)cc(S(=O)(=O)O)c1O |
|
AD01024 | 2.67 | 248.32 | C15H20O3 | CC1=CCCC(CO)=CCC2=C(C)C(=O)OC2C1 |
|
AD01025 | 4.5 | 556.48 | C30H20O11 | O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 |
|
AD01026 | 0.58 | 151.12 | C6H4N4F | Nc1ncnc2c1C(F)=C[N]2 |
|
AD01027 | 0.7 | 268.27 | C12H16O5N2 | COc1ccc(C(=O)NCCNC(=O)O)cc1OC |
|
AD01028 | 2.02 | 294.34 | C16H16ON5 | OC1(CNc2ncnc3c2N=C[N]3)CCCc2ccccc21 |
|
AD01029 | 1.65 | 173.2 | C9H9N4 | C1=Nc2c(ncnc2C2CCC2)[N]1 |
|
AD01030 | 2.49 | 163.26 | C11H17N | CCCCc1ccc(CN)cc1 |