aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16421 | 2.61 | 250.35 | C11H16N5S | CCCCCCSC1=Nc2c(N)ncnc2[N]1 |
|
AD16422 | 4.68 | 559.79 | C33H53O6N | CC1(C)CCC2(C(=O)NC(CO)C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD16423 | 5.74 | 549.61 | C25H37O8N6 | CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2c(c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1)N=C[N]2 |
|
AD16424 | 1.34 | 355.4 | C17H20N8F | Nc1nc(NCCN2CCN(c3ccc(F)cc3)CC2)nc2c1N=C[N]2 |
|
AD16425 | 13.39 | 678.18 | C44H87O3N | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1C(CCCCCCCCCCCCC)CC(O)C1CO |
|
AD16426 | 2.09 | 219.29 | C10H11N4S | C1=N[N]c2ncnc(SC3CCCC3)c21 |
|
AD16427 | -1.45 | 111.1 | C4H5ON3 | Nc1cc[nH+]nc1[O-] |
|
AD16428 | 0.07 | 300.22 | C12H9O3N3F3 | O=C([O-])C(O)Cn1cc(-c2cccc(C(F)(F)F)c2)nn1 |
|
AD16429 | 4.7 | 304.37 | C18H12ON2S | O=C(Nc1cccc2ccccc12)c1ccc2scnc2c1 |
|
AD16430 | 3.72 | 395.41 | C22H21O6N | Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(C(C)C)O4)c(=O)oc12 |