aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00851 | 0.69 | 180.22 | C6H6N5S | CSc1nc(N)c2c(n1)[N]C=N2 |
|
AD00852 | 3.43 | 805.92 | C44H55O13N | CCCCCC(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)C |
|
AD00853 | 1.35 | 353.36 | C17H17O3N6 | CCOC(=O)CNC(=O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD00854 | 1.32 | 94.15 | C3H7FS | CSCCF |
|
AD00855 | 5.46 | 488.71 | C30H48O5 | CC1(C)CCC2(C(=O)O)CCC3(C)C(C(=O)CC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD00856 | 1.29 | 248.33 | C12H20N6 | Cn1cc(CCCCCCc2cn(C)nn2)nn1 |
|
AD00857 | 1.77 | 426.55 | C23H38O7 | CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD00858 | 2.12 | 430.42 | C23H18O5N4 | O=C1c2c(c3c4cc(O)ccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1NC(CO)CO |
|
AD00859 | -1.02 | 283.28 | C12H17O5N3 | CC(C(N)C(=O)NCC(=O)O)C(O)c1ccc(O)cn1 |
|
AD00860 | 2.9 | 411.36 | C17H12O4N3F3S | NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O)cc2)cc1 |