aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15841 | 3.5 | 716.78 | C40H44O12 | CC12CC(C3=CC4OC3C3C4C4OC(=O)C3(O)C3(C)CCC5C(=O)OC(c6ccoc6)CC5(C)C43)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2 |
|
AD15842 | -1.24 | 400.47 | C19H32O7N2 | O=C([O-])CCCCCCCCCCCNC(=O)C(CO)NC(=O)CCC(=O)[O-] |
|
AD15843 | 2.31 | 1737.68 | C85H95O21N17Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(=O)C(Cc4c[nH]cn4)NC(=O)C(CCCCN)NC(=O)C(N)Cc4c[nH]c5ccccc45)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD15844 | 2.51 | 366.41 | C19H26O7 | CCOC(=O)C(C(=O)OCC)C(CC(C)=O)c1ccc(OC)c(OC)c1 |
|
AD15845 | -0.21 | 118.09 | C4H6O4 | CC(C(=O)O)C(=O)O |
|
AD15846 | 1.67 | 189.22 | C8H5N4S | Nc1ncnc2c1-c1sccc1[N]2 |
|
AD15847 | 3.35 | 240.27 | C12H6ON3S | c1coc(-c2ncnc3c2-c2ccsc2[N]3)c1 |
|
AD15848 | 3.35 | 240.27 | C12H6ON3S | c1nc2c(c(-c3ccoc3)n1)-c1ccsc1[N]2 |
|
AD15849 | 2.86 | 295.37 | C16H19N6 | CCCNc1nc2c(c(NCCc3ccccc3)n1)N=C[N]2 |
|
AD15850 | -1.21 | 151.15 | C6H7ON4 | OC1CN=CNC2=C1N=C[N]2 |