aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16351 | 2.75 | 324.77 | C18H13ON4Cl | N#CC1(c2ccc3nn(Cc4ccccc4Cl)c(=O)n3c2)CC1 |
|
AD16352 | 2.77 | 235.68 | C10H4N4ClS | Clc1ccc(-c2ncnc3c2N=C[N]3)s1 |
|
AD16353 | 2.7 | 209.25 | C13H11N3 | Cc1ccc(-c2cc3ncccn3n2)cc1 |
|
AD16354 | 2.37 | 274.3 | C12H9N5FS | Nc1ncnc2c1N=C(SCc1ccc(F)cc1)[N]2 |
|
AD16355 | -2.06 | 316.3 | C10H12O6N4S | NC(=O)COC1OC(C(=O)Nc2nncs2)=CC(O)C1O |
|
AD16356 | -0.94 | 127.1 | C4H5O2N3 | Nc1nc(=O)[nH]cc1O |
|
AD16357 | 2.28 | 286.24 | C15H10O6 | O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12 |
|
AD16358 | 5.1 | 472.71 | C30H48O4 | CC1(CO)CCC2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C1OC12 |
|
AD16359 | 2.15 | 645.76 | C31H47O8N7 | COC(=O)C(NC(=O)C(CCCCNC(=O)OCc1cn(C)nn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |
|
AD16360 | 3.5 | 716.78 | C40H44O12 | CC12CC(C3=CC4OC3C3C5OC(=O)C(O)(C43)C3(C)CCC4C(=O)OC(c6ccoc6)CC4(C)C53)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2 |