aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11791 | 1.62 | 233.3 | C11H11ON3S | NC(=S)c1[nH]ncc1OCc1ccccc1 |
|
AD11792 | 3.51 | 546.7 | C31H46O8 | COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD11793 | 0.53 | 125.13 | C6H7O2N | O=CNCc1ccco1 |
|
AD11794 | 3.29 | 292.3 | C16H11N5F | Fc1nc2c(c(NCc3cccc4ccccc34)n1)N=C[N]2 |
|
AD11795 | 3.11 | 389.44 | C21H21O2N6 | Oc1ccc(CCNc2nc3c(c(NCCc4ccc(O)cc4)n2)N=C[N]3)cc1 |
|
AD11796 | 1.78 | 284.31 | C16H16O3N2 | CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O)cc2)c1 |
|
AD11797 | 1.46 | 348.35 | C16H14ON9 | CCNC(=O)c1cnn(-c2nc3c(c(Nc4ccncc4)n2)N=C[N]3)c1 |
|
AD11798 | -1.12 | 614.8 | C25H42O6N8S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1ccc(N)nc1=O)C(C)=O |
|
AD11799 | -4.87 | 925.06 | C43H64O11N12 | CCCCCCC(=O)OCC1NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)c2ccccc2)NC(=O)CNC1=O |
|
AD11800 | 0.73 | 150.12 | C5H4ON5 | COc1ncnc2c1N=N[N]2 |