aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17441 | 1.23 | 219.2 | C11H9O4N | COc1ccc2c(=O)c(C(=O)O)c[nH]c2c1 |
|
AD17442 | 6.21 | 508.77 | C27H48O3N4S | CCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)Nc1cc[nH]c(=O)n1 |
|
AD17443 | 4.58 | 260.34 | C19H16O | CC(=O)c1c(Cc2ccccc2)cc2cccccc1-2 |
|
AD17444 | 0.4 | 412.44 | C22H24O6N2 | NC(=O)COC1OC(C(=O)NCC(c2ccccc2)c2ccccc2)=CC(O)C1O |
|
AD17445 | 1.54 | 163.22 | C10H13ON | CC(CNC=O)c1ccccc1 |
|
AD17446 | 5.21 | 331.82 | C18H14O2NClS | C=CCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD17447 | 4.86 | 454.65 | C29H42O4 | CC(COCc1ccccc1)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD17448 | 1.81 | 386.42 | C16H16O3N7S | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ncnc2c1N=C[N]2 |
|
AD17449 | 2.62 | 792.03 | C41H69O10N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc(CC#N)cc2)C(C)C(O)C1(C)O |
|
AD17450 | 1.83 | 733.0 | C37H72O10N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NC(C)(C)C)C(C)C(O)C1(C)O |