aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00791 | 1.82 | 238.27 | C13H12N5 | Nc1nc(C#CC2=CCCCC2)nc2c1N=C[N]2 |
|
AD00792 | -0.49 | 127.1 | C4H5O2N3 | Cn1cc(C(=O)O)nn1 |
|
AD00793 | 1.64 | 240.25 | C12H10ON5 | COc1ccc(-c2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD00794 | 1.29 | 584.63 | C28H36O8N6 | CCC(COC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21 |
|
AD00795 | 4.38 | 525.73 | C28H45O7S | CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |
|
AD00796 | 5.18 | 488.71 | C30H48O5 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O |
|
AD00797 | 1.81 | 306.35 | C17H16ON5 | O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)NC1CC1 |
|
AD00798 | 2.63 | 525.68 | C28H47O8N | COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1O |
|
AD00799 | 9.18 | 481.81 | C30H59O3N | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O |
|
AD00800 | 3.9 | 605.77 | C33H51O9N | CCC(=O)OC1CC(=O)OC(C)CCN(CCCCc2ccccc2)CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC |