aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40231 | -0.52 | 303.38 | C14H27O5N2 | COC(=O)C1CC([NH2+]CCO)CCN1C(=O)OC(C)(C)C |
|
AD40232 | -0.4 | 288.36 | C14H26O5N | CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCO)CC1 |
|
AD40233 | 0.02 | 302.38 | C15H22ON6 | C1=Nc2c(ncnc2NC2CC[NH+](CC3CCCO3)CC2)[N]1 |
|
AD40234 | 0.52 | 312.38 | C16H20ON6 | C[NH+](C)CCOc1ccccc1CNc1ncnc2c1N=C[N]2 |
|
AD40235 | 1.56 | 269.29 | C11H20O2N2F3 | CC(C)(C)OC(=O)N1CCC([NH3+])CC1C(F)(F)F |
|
AD40236 | 1.05 | 312.38 | C16H20ON6 | COc1ccc(CC(C)([NH3+])CNc2ncnc3c2N=C[N]3)cc1 |
|
AD40237 | 2.41 | 297.31 | C17H15O4N | CN(C)C(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 |
|
AD40238 | 2.03 | 203.2 | C10H9O2N3 | Cc1cc(N)nc2ccc([N+](=O)[O-])cc12 |
|
AD40239 | 1.73 | 189.17 | C9H7O2N3 | Nc1ccc2ccc([N+](=O)[O-])cc2n1 |
|
AD40240 | 0.07 | 118.2 | C6H16ON | CC(O)C[N+](C)(C)C |