aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44651 | 3.44 | 332.36 | C20H16O3N2 | O=C1C(=NO)c2ccccc2N1CCOc1cccc2ccccc12 |
|
AD44652 | 5.1 | 440.49 | C25H28O7 | CCCCCCCC(Oc1cc2occ(-c3ccc(O)cc3)c(O)c-2c(=O)c1)C(=O)OC |
|
AD44653 | -0.42 | 116.12 | C4H8O2N2 | CC(=O)NCC=NO |
|
AD44654 | 5.15 | 440.49 | C25H28O7 | CCCCCCCC(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OC |
|
AD44655 | 2.37 | 290.35 | C14H20O2N5 | CCCCCCCCC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD44656 | 3.09 | 157.3 | C10H23N | CCCCCCCCCCN |
|
AD44657 | -2.73 | 221.22 | C8H11ON7 | CN(C)C(N)=[NH+]c1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD44658 | 3.49 | 328.52 | C21H34N3 | CC(C)[NH+](C)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 |
|
AD44659 | 3.66 | 385.46 | C22H27O5N | COc1cc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)ccc1O |
|
AD44660 | 3.37 | 310.38 | C17H14O2N2S | COc1ccc(C=C2N=C(S)N(c3ccccc3)C2=O)cc1 |