aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23061 | 2.09 | 248.32 | C15H20O3 | Cc1cc2c(c(C)c1CCO)C(=O)C(C)(C)C2O |
|
AD23062 | 6.16 | 341.54 | C19H39O2N3 | CCCCCCCCCCCCCCCCOCC(O)CN=[N+]=[N-] |
|
AD23063 | 9.41 | 610.72 | C36H52O2NBr | CC1CCC2(C(=O)Nc3ccc(Br)cc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C |
|
AD23064 | 1.13 | 167.16 | C8H9O3N | O=[N+]([O-])c1ccc(CCO)cc1 |
|
AD23065 | 2.65 | 451.42 | C21H19O6N6 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccc([N+](=O)[O-])cc1 |
|
AD23066 | 2.25 | 275.1 | C10H11O4Br | COC(=O)c1cc(Br)c(OC)c(OC)c1 |
|
AD23067 | 4.67 | 895.13 | C48H71O9N6F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(Cc2ccc(-c3cn(CCc4c[nH]c5ccc(F)cc45)nn3)cc2)C(C)C(O)C1(C)O |
|
AD23068 | 2.13 | 548.63 | C29H40O10 | C=CC(C)(O)CCC=C(C)C(=O)OC12C=COC(O)C1C1(CO)OC1C2OC(=O)C(C)=CCCC(C)=CCO |
|
AD23069 | 2.46 | 238.28 | C13H18O4 | CCOCC=Cc1cc(OC)c(O)c(OC)c1 |
|
AD23070 | 3.0 | 236.3 | C10H12ON4S | [N-]=[N+]=NCCCC(=O)Nc1ccc(S)cc1 |