aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11031 | 0.69 | 93.51 | C3H4ONCl | ON=CCCl |
|
AD11032 | 1.78 | 234.28 | C11H16ON5 | CC(C)CCCOc1nc(N)c2c(n1)[N]C=N2 |
|
AD11033 | 1.53 | 616.84 | C32H60O9N2 | C=CCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C |
|
AD11034 | 2.08 | 162.15 | C8H6O2N2 | O=[N+]([O-])c1ccc2[nH]ccc2c1 |
|
AD11035 | 4.24 | 390.56 | C24H38O4 | CCOC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD11036 | -4.87 | 1391.45 | C62H90O26N10 | COC(=O)c1cc(OCCNC(=O)c2cc(OCCNC(=O)COCC(=O)NCCCO)cc(OCCNC(=O)COCC(=O)NCCCO)c2)cc(OCCNC(=O)c2cc(OCCNC(=O)COCC(=O)NCCCO)cc(OCCNC(=O)COCC(=O)NCCCO)c2)c1 |
|
AD11037 | 2.9 | 375.18 | C15H11O3N4Br | O=C(O)NNC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 |
|
AD11038 | 2.93 | 672.95 | C36H68O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CC2CCCCC2)C(C)C(O)C1(C)O |
|
AD11039 | 2.52 | 249.31 | C12H12N3FS | CNc1nc(C2NCc3ccc(F)cc32)cs1 |
|
AD11040 | 2.8 | 330.73 | C16H11O3N4Cl | O=C(O)NNC(=O)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 |