aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00761 | 3.09 | 602.5 | C31H22O13 | O=C(C=Cc1ccc(O)cc1)C1=C(O)C(Cc2c(O)c(O)c(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)=C(O)C(O)C1=O |
|
AD00762 | 3.53 | 434.91 | C23H21ON7Cl | Nc1nc(N2CCN(c3ccc(OCc4ccc(Cl)cc4)cc3)CC2)nc2c1N=C[N]2 |
|
AD00763 | 7.2 | 563.63 | C29H26ON6F3S | O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1ccc(-c2sccc2-c2cccc(C(F)(F)F)c2)cc1 |
|
AD00764 | 2.71 | 190.07 | C10H9NCl2 | CNCc1ccc(Cl)c(Cl)c1 |
|
AD00765 | 8.02 | 682.75 | C36H31O2N7F3S | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 |
|
AD00766 | 0.82 | 318.33 | C17H18O6 | CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O |
|
AD00767 | 1.77 | 454.43 | C24H22O9 | COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1 |
|
AD00768 | 1.14 | 440.49 | C22H32O9 | COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1O |
|
AD00769 | -2.57 | 305.37 | C13H27O5N3 | CCCOC1C(NC(=O)C(O)CCN)CC(N)C(O)C1O |
|
AD00770 | 2.51 | 273.72 | C15H12ON3Cl | Cc1cccc2nn(Cc3ccccc3Cl)c(=O)n12 |