aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22691 | 1.07 | 213.04 | C6H5N4Br | Nc1ncnn2ccc(Br)c12 |
|
AD22692 | 9.88 | 598.01 | C37H75O4N | CCCCCCCCCCCCCCCCCC(=O)N(C)C(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD22693 | 0.12 | 162.26 | C6H14ON2S | CNC(=S)NCCCOC |
|
AD22694 | 1.84 | 253.24 | C13H9O2N4 | COC(=O)c1cccc(-c2ncnc3c2N=C[N]3)c1 |
|
AD22695 | 6.18 | 507.8 | C30H57O3N3 | CCCCCCCCCCCCCCCCCCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C |
|
AD22696 | -2.45 | 448.46 | C18H26O5N9 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O |
|
AD22697 | 0.21 | 260.27 | C9H12O5N2S | CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
|
AD22698 | 3.48 | 614.78 | C31H54O10N2 | CC(C)CCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O |
|
AD22699 | 3.67 | 413.48 | C25H23O3N3 | O=C(c1ccccc1)c1ccc(OCc2ccc(Cn3cc(CCO)nn3)cc2)cc1 |
|
AD22700 | 2.44 | 355.39 | C20H21O5N | CC(C)C(N=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O |