aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16591 | 0.48 | 230.25 | C11H12ON5 | Nc1nc(C#CCCCCO)nc2c1N=C[N]2 |
|
AD16592 | 2.87 | 189.28 | C11H11NS | NCc1ccc(-c2ccsc2)cc1 |
|
AD16593 | 1.61 | 280.27 | C14H10O2N5 | COc1ccc(-c2cn3c(=O)c4c(nc3[nH]2)[N]C=N4)cc1 |
|
AD16594 | -1.13 | 460.87 | C20H25O9N2Cl | COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(Cl)cc2)O1 |
|
AD16595 | 0.91 | 216.26 | C12H14ON3 | NC(=O)C1=C(C#CC2CCCCC2)[N]C=N1 |
|
AD16596 | 0.72 | 274.27 | C12H18O7 | CCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
|
AD16597 | -2.51 | 303.12 | C7H13O9P2 | COP(=O)([O-])OC(C1CC(O)C(O)C1)P(=O)([O-])[O-] |
|
AD16598 | 0.43 | 526.62 | C25H36O4N9 | CC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ncnc2c1N=C[N]2)C(C)C |
|
AD16599 | 1.42 | 472.31 | C16H23O2N7I | O=C(CI)NCCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2 |
|
AD16600 | 1.7 | 559.74 | C29H53O9N | CCC(O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O2)C1C |