aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42431 | 0.12 | 309.43 | C17H29O3N2 | CC[NH+](CCCC(=O)NCCO)C(C)Cc1ccc(O)cc1 |
|
AD42432 | 0.42 | 323.46 | C18H31O3N2 | CC[NH+](CCCC(=O)NCCO)C(C)Cc1ccc(OC)cc1 |
|
AD42433 | 2.64 | 300.41 | C16H18ON3S | O=C(Nc1ccc(S)cc1)c1c[nH+]ccc1N1CCCC1 |
|
AD42434 | -0.22 | 323.4 | C18H21ON5 | NC(=O)C1=C(NC2=CC3CCC(C2)[NH+]3Cc2ccccc2)[N]C=N1 |
|
AD42435 | 0.41 | 336.4 | C18H20ON6 | C[NH+]1CCN(C(=O)c2ccc(Nc3ncnc4c3C=C[N]4)cc2)CC1 |
|
AD42436 | 0.1 | 337.39 | C17H19ON7 | C[NH+]1CCN(C(=O)c2ccc(Nc3ncnc4c3N=C[N]4)cc2)CC1 |
|
AD42437 | 1.69 | 328.46 | C18H22ON3S | C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(S)cc3)cc2)CC1 |
|
AD42438 | 2.28 | 301.44 | C16H21N4S | CN1CCN(c2cc(Nc3ccc(S)cc3)cc[nH+]2)CC1 |
|
AD42439 | 1.19 | 332.32 | C13H10O4N5S | Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD42440 | 2.22 | 282.28 | C14H12O2N5 | COC(=O)c1cc(Nc2ncnc3c2N=C[N]3)ccc1C |