aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22501 | 3.59 | 212.29 | C15H16O | COc1ccc(Cc2ccccc2C)cc1 |
|
AD22502 | 4.79 | 310.26 | C14H16NSBr | CC(C)(C)c1ccc(Cc2scnc2Br)cc1 |
|
AD22503 | 8.78 | 627.91 | C40H57O3N3 | Cc1cccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c1 |
|
AD22504 | 3.9 | 490.68 | C29H46O6 | CC1(O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O |
|
AD22505 | 1.44 | 250.25 | C13H14O5 | Cc1cc(O)c(O)c2oc(CC(C)O)cc(=O)c12 |
|
AD22506 | 4.1 | 358.36 | C20H13ON5F | O=C1Nc2ccc(F)cc2C1=Cc1cn(CC2=C[N]N=N2)c2ccccc12 |
|
AD22507 | -1.52 | 442.3 | C14H27O4N4I | CCNC1CC(N)C(OC2OC(CN)=C(I)CC2N)C(O)C1O |
|
AD22508 | 3.78 | 287.3 | C17H11ON4 | Cn1ccc2c1-c1c(ncnc1-c1cc3ccccc3o1)[N]2 |
|
AD22509 | 10.62 | 686.09 | C41H80O5NF | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)CF |
|
AD22510 | 1.78 | 341.42 | C16H17ON6S | Nc1ncnc2c1N=C(SCC(=O)NCCCc1ccccc1)[N]2 |