aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14311 | 3.17 | 281.36 | C15H13N4S | Cc1ccc(C=CCSc2ncnc3c2C=N[N]3)cc1 |
|
AD14312 | 2.2 | 265.32 | C14H9N4S | C(#Cc1ccccc1)CSc1ncnc2c1C=N[N]2 |
|
AD14313 | 6.81 | 826.9 | C44H50O12N4 | COc1c2nc(c(C3OC4OC(C)(C)OC4C4OC(C)(C)OC34)c3ccc([nH]3)c(OC)c3nc(c(C4OC5OC(C)(C)OC5C5OC(C)(C)OC45)c4ccc1[nH]4)C=C3)C=C2 |
|
AD14314 | 3.47 | 434.4 | C24H18O8 | COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O |
|
AD14315 | 1.64 | 191.15 | C8H5O3N3 | O=[N+]([O-])c1ccc(-c2ncno2)cc1 |
|
AD14316 | 5.64 | 443.71 | C26H53O4N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCC |
|
AD14317 | -1.37 | 510.56 | C22H30O3N12 | Cn1cc(-c2cc(C(=O)NCCC(=O)NC(CCCNC(=N)N)C(N)=O)cc(-c3cn(C)nn3)c2)nn1 |
|
AD14318 | -0.28 | 714.91 | C34H46O7N6S2 | Cc1cc(O)cc(C)c1CC(N)C(=O)NC1CSCCSC(C)(C)C(C(=O)NC(CO)C(N)=O)NC(=O)C2(Cc3ccccc3C2)NC1=O |
|
AD14319 | 2.61 | 328.32 | C18H16O6 | COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1C2OC(C)=O |
|
AD14320 | -1.45 | 112.11 | C4H6ON3 | NC1=NC(=O)[NH2+]C=C1 |