aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17061 | 5.18 | 500.63 | C28H34O2N7 | CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc(C(C)(C)C)c1O |
|
AD17062 | 4.16 | 305.83 | C17H16ONClS | CN(C)C(=S)Oc1ccc(Cc2ccccc2Cl)cc1 |
|
AD17063 | 4.53 | 248.71 | C15H13O2Cl | CCOc1ccc(Oc2ccccc2Cl)cc1 |
|
AD17064 | 3.49 | 244.29 | C14H16O2N2 | Oc1ccc(-c2nnc(C3CCCCC3)o2)cc1 |
|
AD17065 | 2.63 | 244.69 | C13H9N4Cl | Nc1ncnn2ccc(-c3ccccc3Cl)c12 |
|
AD17066 | -0.5 | 117.15 | C5H11O2N | CC(=O)NCCCO |
|
AD17067 | -2.63 | 3669.54 | C179H295O44N37 | CCCCCCCCCCCCCCC(NC(=O)C(CCCCCCCCCCCCCC)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(C)=O)C(C)CC)C(C)CC)C(C)C)C(C)CC)C(C)O)C(C)O)C(N)=O |
|
AD17068 | -6.8 | 574.45 | C12H16O19NS3 | O=C1NC2C(OC(COS(=O)(=O)[O-])C(O)C2OS(=O)(=O)[O-])OC2C1OC(O)C(OS(=O)(=O)[O-])C2O |
|
AD17069 | 2.7 | 893.07 | C44H76O18 | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(OC(=O)C(C)C(C)O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CC |
|
AD17070 | 0.96 | 191.28 | C6H9O2NS2 | CNS(=O)(=O)c1ccc(C)s1 |