aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12811 | -2.93 | 274.33 | C10H22O3N6 | COC1C(N=C(N)N)CC(N=C(N)N)C(O)C1OC |
|
AD12812 | 0.24 | 572.53 | C26H31O9N2F3 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)O1 |
|
AD12813 | 3.3 | 369.45 | C22H21N6 | C1=Nc2c(ncnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)[N]1 |
|
AD12814 | 1.24 | 273.29 | C14H15O3N3 | O=C(O)CCNCC(=O)Nc1cccc2ncccc12 |
|
AD12815 | 2.66 | 342.15 | C15H8O2N3Br | O=C1Nc2ccc(Br)cc2C1=C1C(=O)Nc2ncccc21 |
|
AD12816 | 0.22 | 436.41 | C21H24O10 | CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O |
|
AD12817 | 2.24 | 248.65 | C11H7ON5Cl | Clc1nc2c(c(NCc3ccco3)n1)N=C[N]2 |
|
AD12818 | -1.44 | 229.24 | C9H15O4N3 | NCCOCCOCc1c[nH]c(=O)[nH]c1=O |
|
AD12819 | 7.83 | 502.53 | C30H37ON3Cl2 | Cn1cc(CCCCOc2ccc(C(C)(C)CC(C)(C)C)cc2Cc2ccc(Cl)cc2Cl)nn1 |
|
AD12820 | 2.7 | 265.3 | C14H13N6 | C1=Nc2c(nc(Nc3ccccc3)nc2NC2CC2)[N]1 |