aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44411 | 1.43 | 194.19 | C10H10O4 | COc1cc(C=O)ccc1OC(C)=O |
|
AD44412 | 3.5 | 336.52 | C21H36O3 | CC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C |
|
AD44413 | 3.69 | 330.47 | C21H30O3 | CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C |
|
AD44414 | 3.87 | 366.37 | C16H14O3N3F2S | COc1ccnc(CSC2=Nc3cc(OC(F)F)ccc3[N]2)c1OC |
|
AD44415 | -1.71 | 198.18 | C7H10O3N4 | O=c1[nH]nc(N2CCOCC2)c(=O)[nH]1 |
|
AD44416 | 3.51 | 341.77 | C19H13ON3FCl | OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 |
|
AD44417 | 4.73 | 421.91 | C23H22ON6Cl | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C2=NN=N[N]2)cc1 |
|
AD44418 | 4.73 | 421.91 | C23H22ON6Cl | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C2=N[N]N=N2)cc1 |
|
AD44419 | 3.78 | 372.42 | C21H24O6 | CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CCC(O)C(C)(C)O |
|
AD44420 | 1.5 | 232.11 | C6H6N3SBr | NC(=S)Nc1ccc(Br)cn1 |