aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11001 | 0.89 | 498.45 | C13H28O10N2P2S2 | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSSC |
|
AD11002 | -1.58 | 365.39 | C16H23O5N5 | O=c1ccn(C2OC(C(O)CNCCCn3ccnc3)CC2O)c(=O)[nH]1 |
|
AD11003 | 4.34 | 289.68 | C14H11ONF3Cl | CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 |
|
AD11004 | 6.09 | 692.81 | C41H44O8N2 | O=C(O)Cc1cccc(-c2cc(CCCC(=O)N3CCCN(C(=O)CCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O)c1 |
|
AD11005 | -0.67 | 113.07 | C4H3O3N | O=c1ccoc(=O)[nH]1 |
|
AD11006 | 1.24 | 236.66 | C12H9O2N2Cl | O=c1cc[nH]c(=O)n1Cc1ccc(Cl)cc1 |
|
AD11007 | 3.98 | 438.92 | C23H23O2N6Cl | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2O)cc1 |
|
AD11008 | 0.98 | 218.24 | C10H12ON5 | C1=Nc2c(ncnc2NC2CCOCC2)[N]1 |
|
AD11009 | 2.45 | 690.96 | C36H70O10N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCCNC(C)C)C(C)C(O)C1(C)O |
|
AD11010 | 5.29 | 494.69 | C27H42O6S | CC(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C |