aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22861 | 1.79 | 249.25 | C14H9ON4 | COc1ccccc1C#Cc1ncnc2c1N=C[N]2 |
|
AD22862 | 0.78 | 275.31 | C14H17O3N3 | CNC(=O)CCCC(=O)Nc1cccc2c1CNC2=O |
|
AD22863 | 4.39 | 484.68 | C30H44O5 | C=C(C)C(O)C(=O)CC(C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C |
|
AD22864 | 3.71 | 204.66 | C13H9OCl | Oc1ccc(-c2ccccc2)cc1Cl |
|
AD22865 | 3.17 | 350.23 | C11H15ON2SI | CSCCCNC(=O)Nc1ccc(I)cc1 |
|
AD22866 | 2.45 | 422.42 | C21H20O5N5 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccc(O)cc1 |
|
AD22867 | 0.56 | 246.27 | C12H14O2N4 | O=c1[nH]ccc(=NOCCCc2cccnc2)[nH]1 |
|
AD22868 | -35.91 | 4632.59 | C186H244O54N92 | Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CCC(=O)NCCCCCCOC2C(O)C(N)CC(N)C2O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2ccc(N)nc2=O)CC(N)=O)c(=O)[nH]c1=O |
|
AD22869 | -0.85 | 208.2 | C8H10O2N5 | OCC(O)CNc1ncnc2c1N=C[N]2 |
|
AD22870 | 5.24 | 518.59 | C27H39O6N2P | COP(=O)(NC(CC(C)C)C(=O)OCc1ccccc1)NC(CC(C)C)C(=O)OCc1ccccc1 |