aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21591 | 3.1 | 236.35 | C15H24O2 | CC(C)C1CCC2=CC(=O)CCC(C)(O)CC21 |
|
AD21592 | 0.36 | 250.66 | C8H7O4N2ClS | COS(=O)(=O)NC(=O)c1cccnc1Cl |
|
AD21593 | 4.16 | 317.82 | C19H20O2NCl | CCOc1ccc(Cc2ccc3c(c2Cl)N(C)CCO3)cc1 |
|
AD21594 | 3.9 | 302.76 | C18H15O3Cl | CCOc1ccc(Cc2ccc3c(c2Cl)OCC3=O)cc1 |
|
AD21595 | 5.44 | 466.71 | C27H50O4N2 | CCCCCCCCCCCCCCCCCCOC(=O)C1=CCN(C)C(CO)C(=O)N1C |
|
AD21596 | 3.89 | 719.62 | C28H36O12N3FP2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)c1ccc2oc(-c3ccc(F)cc3)nc2c1 |
|
AD21597 | 1.39 | 745.94 | C37H55O9N5S | CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)CCCNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1 |
|
AD21598 | 1.09 | 210.22 | C11H8N5 | Nc1ncnc2c1C(c1ccncc1)=C[N]2 |
|
AD21599 | 1.75 | 244.67 | C12H7N5Cl | Nc1ncnc2c1C(c1cc(Cl)ccn1)=C[N]2 |
|
AD21600 | 2.7 | 264.44 | C12H28O2N2S | CCCCCCCCCCCCNS(N)(=O)=O |