aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21321 | -0.65 | 111.1 | C4H5ON3 | Nc1nc(=O)cc[nH]1 |
|
AD21322 | 0.25 | 120.15 | C5H12O3 | COCCOCOC |
|
AD21323 | 7.78 | 751.0 | C42H58O8N2S | CC1(C)CCC2(C(=O)OCC=CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD21324 | 1.83 | 147.29 | C7H17NS | NCCCCCCCS |
|
AD21325 | 1.66 | 165.0 | C6H4N3Cl2 | ClCC1=C(CCl)N=N[N]1 |
|
AD21326 | 1.49 | 222.26 | C12H15ON2F | CC(=O)N1CCN(c2ccc(F)cc2)CC1 |
|
AD21327 | 1.19 | 153.16 | C8H8ONF | CNC(=O)c1cccc(F)c1 |
|
AD21328 | 10.55 | 736.74 | C44H28O6N6 | O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 |
|
AD21329 | 7.01 | 524.74 | C33H48O5 | C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)c3ccc(C)c(CCC(=O)C(C)C)c3CCC12C)C(C)C |
|
AD21330 | 2.95 | 239.32 | C16H17ON | O=CNCCC(c1ccccc1)c1ccccc1 |