aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14541 | 3.96 | 300.78 | C19H17O2Cl | C#CCOCCOc1ccc(Cc2ccccc2Cl)cc1 |
|
AD14542 | 2.3 | 316.32 | C13H10O3N5S | O=[N+]([O-])c1ccc(CCSC2=Nc3c(O)ncnc3[N]2)cc1 |
|
AD14543 | 2.6 | 298.25 | C16H10O6 | O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12 |
|
AD14544 | -4.32 | 1780.15 | C84H138O22N20 | CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CCCCNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(N)=O |
|
AD14545 | 1.4 | 166.14 | C7H6O3N2 | O=[N+]([O-])c1ccc(C=NO)cc1 |
|
AD14546 | 4.81 | 287.36 | C20H17ON | Oc1cccc2[nH]cc(CCc3ccc4ccccc4c3)c12 |
|
AD14547 | 0.4 | 181.2 | C6H5ON4S | CSc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD14548 | 1.49 | 164.16 | C9H8O3 | O=C(O)C=Cc1ccccc1O |
|
AD14549 | 1.42 | 472.31 | C16H23O2N7I | O=C(CI)NCCCCCC(=O)NCCCNc1ncnc2c1N=C[N]2 |
|
AD14550 | 2.38 | 238.23 | C11H8N7 | Nc1nc(N=Nc2ccccc2)nc2c1N=C[N]2 |