aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40991 | -1.19 | 150.22 | C5H12O2NS | [NH3+]C1CCS(=O)(=O)CC1 |
|
AD40992 | -0.99 | 316.42 | C15H30O4N3 | C[NH+](CC(=O)NCCO)C1CCCN(C(=O)OC(C)(C)C)C1 |
|
AD40993 | 1.11 | 299.37 | C18H20ON2F | NC(=O)C1C[NH+](Cc2ccccc2)CC1c1ccc(F)cc1 |
|
AD40994 | -0.01 | 295.38 | C14H19O3N2S | COC(=O)C1CC[NH+](CC(=O)Nc2ccc(S)cc2)C1 |
|
AD40995 | -0.46 | 342.46 | C17H32O4N3 | CC(C)(C)OC(=O)N1CCC([NH+]2CCCCC2C(=O)NCCO)C1 |
|
AD40996 | 0.96 | 329.45 | C17H21ON4S | C[NH+]1CCN(c2cnccc2C(=O)Nc2ccc(S)cc2)CC1 |
|
AD40997 | 0.96 | 329.45 | C17H21ON4S | C[NH+]1CCN(c2ccncc2C(=O)Nc2ccc(S)cc2)CC1 |
|
AD40998 | -1.85 | 225.27 | C10H17O2N4 | CC(C)[NH+]1CC(Nc2c[nH]c(=O)[nH]c2=O)C1 |
|
AD40999 | -0.41 | 338.41 | C14H19ON6FS | FC1=C[N]c2ncnc(NC(=S)NCCC[NH+]3CCOCC3)c21 |
|
AD41000 | -0.71 | 320.42 | C14H20ON6S | S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1C=C[N]2 |