aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14531 | 1.56 | 232.27 | C10H14N7 | CCCC(C)=NNc1nc(N)c2c(n1)[N]C=N2 |
|
AD14532 | 2.04 | 286.28 | C16H14O5 | COc1cc(O)c2c(c1)C(O)c1cc(C)cc(O)c1C2=O |
|
AD14533 | 5.93 | 517.67 | C28H46O4NF3 | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCc1ccc(C(F)(F)F)cc1 |
|
AD14534 | 5.99 | 649.91 | C40H59O6N | COC(=O)C1(C)CCC2(C(=O)NCCCc3ccccc3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD14535 | -0.63 | 344.27 | C14H14O6N2F2 | NC(=O)COC1OC(C(=O)Nc2ccc(F)c(F)c2)=CC(O)C1O |
|
AD14536 | -1.98 | 553.64 | C24H35O8N5S | CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(=O)N(CCO)CC(=O)N(CCO)CC(N)=O)cccc12 |
|
AD14537 | 1.39 | 255.23 | C13H9O3N3 | O=c1[nH]cc(-c2cc(-c3ccccc3)on2)c(=O)[nH]1 |
|
AD14538 | -1.31 | 131.11 | C5H7O4 | COC(=O)CCC(=O)[O-] |
|
AD14539 | 4.97 | 409.52 | C25H25N6 | Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3cc(C)ccc32)c1 |
|
AD14540 | 3.18 | 298.29 | C17H14O5 | COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1 |