aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11411 | 1.26 | 421.45 | C24H23O6N | C=CC1C(O)OC=C(C(=O)[O-])C1C=Cc1ccc[n+](C(Cc2ccccc2)C(=O)O)c1 |
|
AD11412 | 2.0 | 240.2 | C10H13O3N2P | COP(=O)(O)NCc1c[nH]c2ccccc12 |
|
AD11413 | 1.84 | 165.22 | C7H7N3S | Cc1scnc1-c1ncc[nH]1 |
|
AD11414 | 1.57 | 276.28 | C15H10ON5 | CC(=O)c1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD11415 | 5.86 | 468.68 | C30H44O4 | CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2 |
|
AD11416 | 5.24 | 499.67 | C28H37O5NS | COC12C=CC(C)(O1)C(OC(=O)C=Cc1csc(C)n1)CC1C(C)=CCC(C(C)C)C1C=C2CO |
|
AD11417 | 5.45 | 329.85 | C19H16ONClS | CCOc1ccc(Cc2ncc(-c3ccccc3)s2)c(Cl)c1 |
|
AD11418 | 7.8 | 326.61 | C22H46O | CCCCCCCCCCCCCCCCCCCCCCO |
|
AD11419 | 5.25 | 309.82 | C15H9NFClS2 | Fc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1 |
|
AD11420 | 5.77 | 326.27 | C16H9NCl2S2 | Clc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1 |