aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09891 | 3.54 | 385.5 | C23H31O4N | CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)CNC3=O |
|
AD09892 | -0.07 | 159.19 | C7H13O3N | CC(C)C(COC=O)NC=O |
|
AD09893 | 3.46 | 233.29 | C17H13O | [O-]c1ccc(Cc2cc3cccccc-3c2)cc1 |
|
AD09894 | 4.94 | 383.26 | C21H14N5Cl2 | Clc1cccc(C(CNc2ncnc3c2N=C[N]3)c2cccc(Cl)c2)c1 |
|
AD09895 | 8.84 | 796.96 | C41H60O10N6 | CN(C)[N+]([O-])=NOc1cc(NCCC(=O)OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD09896 | 2.37 | 217.31 | C14H19ON | NC(=O)CCCc1ccc2c(c1)CCCC2 |
|
AD09897 | 14.44 | 684.15 | C45H81O3N | CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)OC |
|
AD09898 | 6.72 | 361.9 | C23H16NClS | Clc1ccccc1Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1 |
|
AD09899 | 2.45 | 313.39 | C15H21N8 | CCCCCCCCc1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1 |
|
AD09900 | -1.44 | 634.65 | C20H40O9N6P2S2 | COP(O)(=S)OC1C(COP(O)(O)=S)OC(n2ccc(=O)[nH]c2=O)C1NCCCNCCCCNCCCN |