aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44591 | 3.0 | 248.28 | C16H12ON2 | NC(=O)c1cc(-c2ccccc2)nc2ccccc12 |
|
AD44592 | 2.95 | 448.56 | C25H36O7 | CC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O |
|
AD44593 | 3.23 | 273.31 | C14H11O3NS | COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 |
|
AD44594 | -0.86 | 198.18 | C7H10O3N4 | CCOC(=O)CNc1cn[nH]c(=O)n1 |
|
AD44595 | 2.8 | 317.32 | C15H11O5NS | CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1cscn1 |
|
AD44596 | 2.92 | 251.91 | C6H4OBr2 | Oc1ccc(Br)cc1Br |
|
AD44597 | 3.11 | 368.34 | C20H16O7 | CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 |
|
AD44598 | 2.26 | 448.56 | C25H36O7 | CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C)C12 |
|
AD44599 | 2.94 | 412.35 | C21H16O9 | CC(=O)Oc1ccc(-c2coc3cc(O)cc(OC(C)=O)c3c2=O)cc1OC(C)=O |
|
AD44600 | 2.74 | 388.5 | C23H32O5 | CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O |