aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14141 | 0.75 | 277.28 | C12H15O3N5 | C=CCn1c(=O)[nH]c2nc(NC(=O)CCC)nc(O)c21 |
|
AD14142 | 0.78 | 217.26 | C10H13N6 | Nc1ncnc2c1N=C(N1CCCCC1)[N]2 |
|
AD14143 | 2.32 | 294.34 | C15H16N7 | C1=Nc2c(nc(-n3cccn3)nc2NC23CCC(CC2)C3)[N]1 |
|
AD14144 | 1.9 | 496.52 | C26H28O8N2 | COC(C(=NNc1ccccc1)C(O)C(C)O)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD14145 | 0.0 | 116.1 | C6H2N3 | C#CC1=C(C#N)N=C[N]1 |
|
AD14146 | -0.65 | 193.17 | C7H7O2N5 | NC(=O)c1cn(O)c2ncnc(N)c12 |
|
AD14147 | 3.4 | 248.72 | C12H7N3ClS | CSc1ncnc2c1-c1cc(Cl)ccc1[N]2 |
|
AD14148 | -2.41 | 731.92 | C31H57O9N9S | CSCCC(NC(=O)C(N)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(C(=O)NC(CC1CCCCC1)C(=O)O)C(C)O |
|
AD14149 | 8.68 | 655.92 | C41H57O4N3 | CC(=O)c1ccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1 |
|
AD14150 | 7.7 | 664.88 | C40H56O8 | COc1cc(C(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OC |