aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09421 | 2.68 | 287.69 | C13H8ON6Cl | O=C(Nc1cccc(Cl)c1)Nc1ncnc2c1N=C[N]2 |
|
AD09422 | 11.29 | 1826.85 | C91H98O24N10Cl2S2 | CCCCCCCCSC1=C(SCCCCCCCC)C(=O)N(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O |
|
AD09423 | -1.78 | 320.2 | C9H13O7N4P | Cn1c(=O)n(CCCOP(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21 |
|
AD09424 | 0.69 | 281.38 | C12H19ON5S | Cn1cc(CCCCC2SCC3NC(=O)NC32)nn1 |
|
AD09425 | 3.01 | 495.66 | C27H45O7N | CC1CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)CC(O)CC(=O)O1 |
|
AD09426 | 6.14 | 672.94 | C40H64O8 | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C |
|
AD09427 | 4.43 | 301.77 | C18H16O2NCl | COc1ccc(Cc2c[nH]c3cccc(Cl)c23)c(OC)c1 |
|
AD09428 | 1.47 | 264.32 | C14H20O3N2 | CN(CCCCC(=O)O)Cc1cccc(C(N)=O)c1 |
|
AD09429 | 0.41 | 131.18 | C6H13O2N | CCN(CC)CC(=O)O |
|
AD09430 | -0.66 | 160.22 | C7H16O2N2 | CNC(=O)C(N)C(C)COC |