aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13881 | 3.51 | 398.46 | C25H22O3N2 | O=C(NCC(O)CNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 |
|
AD13882 | 1.41 | 230.29 | C12H16N5 | C1=Nc2c(CCN3CCCCC3)ncnc2[N]1 |
|
AD13883 | 3.74 | 340.37 | C20H14ON5 | COc1ccc(C2=C[N]c3ncnc(Nc4ccc(C#N)cc4)c32)cc1 |
|
AD13884 | 3.56 | 180.28 | C10H18N3 | CCCCCCCCC1=C[N]N=N1 |
|
AD13885 | 3.41 | 309.39 | C19H21O2N2 | COc1cc(C)cc2c1c(-c1ccc(O)cc1)[n+]1n2CCCC1 |
|
AD13886 | 2.03 | 150.19 | C6H4N3S | C1=C(c2ccsc2)N=N[N]1 |
|
AD13887 | 2.04 | 797.07 | C40H68O10N4S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NC(=O)c2ccccc2)C(C)C(O)C1(C)O |
|
AD13888 | 2.89 | 314.29 | C17H14O6 | COc1cc(O)c2c(-c3ccc(OC)c(O)c3)cc(=O)oc2c1 |
|
AD13889 | 7.32 | 524.74 | C33H48O5 | C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)C |
|
AD13890 | 3.6 | 502.65 | C29H42O7 | CC1=C(O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C |