aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44401 | 1.96 | 187.65 | C8H6ONClS | NC(=S)Oc1ccc(Cl)cc1 |
|
AD44402 | 1.32 | 183.23 | C8H9O2NS | COc1ccc(OC(N)=S)cc1 |
|
AD44403 | 3.08 | 388.51 | C21H26O4NS | CCSc1ccc2c(cc1=O)C([NH3+])CCc1cc(OC)c(OC)c(OC)c1-2 |
|
AD44404 | 3.71 | 373.37 | C21H15O4N3 | O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1 |
|
AD44405 | 4.42 | 354.47 | C18H26O5S | CC12CCC3c4ccc(OS(O)(O)O)cc4CCC3C1CCC2O |
|
AD44406 | 4.5 | 439.46 | C24H19O3N6 | CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2C2=NN=N[N]2)cc1 |
|
AD44407 | 3.46 | 437.52 | C23H36O5NP | O=C(O)C1CC(C2CCCCC2)CN1C(=O)C[PH](O)(O)CCCCc1ccccc1 |
|
AD44408 | 3.66 | 446.51 | C24H26O3N6 | CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
|
AD44409 | 1.16 | 238.19 | C11H10O6 | C=C(Oc1cc(C(=O)OC)ccc1O)C(=O)O |
|
AD44410 | 5.02 | 482.58 | C27H34O6N2 | CN(CCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OC(C)(C)C |