aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16411 | 0.35 | 345.12 | C9H10ON6I | O=C(CI)NCCNc1ncnc2c1N=C[N]2 |
|
AD16412 | 2.82 | 789.88 | C43H51O13N | CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)C |
|
AD16413 | 3.25 | 353.47 | C19H27N7 | CCN(CC)CCCNc1nc(Nc2ccccc2)c2ncn(C)c2n1 |
|
AD16414 | 1.69 | 240.27 | C12H12N6 | Cn1cnc2c(Nc3ccccc3)nc(N)nc21 |
|
AD16415 | 5.27 | 310.4 | C22H18N2 | c1ccc(Cn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 |
|
AD16416 | 1.41 | 225.24 | C11H9N6 | Nc1ncnc2c1N=C(Nc1ccccc1)[N]2 |
|
AD16417 | 2.31 | 434.44 | C22H26O9 | COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O |
|
AD16418 | -0.64 | 135.11 | C4H3N6 | Nc1nnnc2c1N=C[N]2 |
|
AD16419 | 2.05 | 268.32 | C14H16N6 | CNc1nc(NCCc2ccccc2)c2nc[nH]c2n1 |
|
AD16420 | 14.78 | 878.99 | C60H38O4N4 | Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4[nH]c(c(-c5ccc(O)cc5)c5nc(c(-c6ccc(O)cc6)c6[nH]c2c2ccccc62)-c2ccccc2-5)c2ccccc42)-c2ccccc2-3)cc1 |