aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22871 | -0.49 | 139.09 | C3H10O3NP | CC(CN)P(=O)(O)O |
|
AD22872 | 1.85 | 1369.69 | C66H120O25N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC(=O)N(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCOCCOC)C(C)CC4(C)O)C3O)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O |
|
AD22873 | 2.77 | 201.27 | C12H15N3 | CC(C)(C)c1ccc(-c2nc[nH]n2)cc1 |
|
AD22874 | -1.56 | 395.3 | C14H27O4N4Br | CCNC1CC(N)C(OC2OC(CN)=C(Br)CC2N)C(O)C1O |
|
AD22875 | 2.32 | 191.27 | C12H17ON | CCC(=O)NCC(C)c1ccccc1 |
|
AD22876 | 1.26 | 101.17 | C4H7NS | CSCCC#N |
|
AD22877 | 1.32 | 252.26 | C13H10ON5 | O=C(NCc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD22878 | 0.01 | 136.13 | C6H6ON3 | [NH]NC(=O)c1ccncc1 |
|
AD22879 | 4.19 | 332.49 | C20H32O2N2 | CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=NN)C2 |
|
AD22880 | 0.96 | 191.28 | C6H9O2NS2 | CNS(=O)(=O)c1cc(C)cs1 |