aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16241 | 4.91 | 327.52 | C21H33N3 | CC(C)N(C)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 |
|
AD16242 | 5.07 | 1212.96 | C61H47O18N7Cl2 | COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD16243 | 0.49 | 289.27 | C13H12O2N5F | Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(F)cc1)=C[N]2 |
|
AD16244 | 1.85 | 480.64 | C27H44O7 | CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C |
|
AD16245 | 3.57 | 282.37 | C16H14ON2S | CN(Cc1ccccc1)C(=O)c1ccc2scnc2c1 |
|
AD16246 | 3.28 | 466.55 | C22H24O3N7S | O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)Nc1ncnc2c1N=C[N]2 |
|
AD16247 | 0.48 | 246.25 | C11H12O2N5 | CONc1nc(C#CCC(C)O)nc2c1N=C[N]2 |
|
AD16248 | 9.7 | 613.02 | C37H76O4N2 | CCCCCCCCCCCCCCCCCC(=O)NC(CNOC)C(O)C(O)CCCCCCCCCCCCCC |
|
AD16249 | 1.74 | 442.65 | C23H46O4N4 | CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C |
|
AD16250 | 2.17 | 232.31 | C12H12ON2S | O=CNC(Cc1ccccc1)c1nccs1 |