aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15911 | 2.96 | 216.32 | C12H24O3 | CCCCC(O)CCCCCCC(=O)O |
|
AD15912 | 2.21 | 270.34 | C13H12N5S | Cc1ccccc1CSC1=N[N]c2ncnc(N)c21 |
|
AD15913 | 0.62 | 219.25 | C8H7N6S | N#CCCSC1=N[N]c2ncnc(N)c21 |
|
AD15914 | -0.22 | 139.16 | C6H9ON3 | CNC(=O)c1cncn1C |
|
AD15915 | 1.67 | 188.19 | C10H8O2N2 | c1nc(-c2ccc3c(c2)CCO3)no1 |
|
AD15916 | 3.69 | 857.15 | C46H76O9N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCc3cn(C)c4ccccc34)nn2)C(C)C(O)C1(C)O |
|
AD15917 | 3.68 | 446.58 | C26H38O6 | C#CCCCC=CC=CC1CC(C)=CC(OC)CC2OC(O)(CC(O)C2C)C(C)C(=O)O1 |
|
AD15918 | 4.17 | 727.04 | C40H74O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCC2=C(C)CCCC2(C)C)C(C)C(O)C1(C)O |
|
AD15919 | 3.03 | 414.37 | C21H18O9 | COc1cc(OC(C)=O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)c(OC)c3)oc2c1 |
|
AD15920 | 2.04 | 161.31 | C8H19NS | CN(C)CCCCCCS |