aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04821 | -0.32 | 361.4 | C18H23O5N3 | CN(Cc1ccccc1)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1 |
|
AD04822 | 2.42 | 244.29 | C12H20O5 | CCCCCCCC(=O)OCC(O)=CC(=O)O |
|
AD04823 | 4.1 | 318.4 | C19H14ON2S | O=c1[nH]cc(C2c3ccccc3C=Cc3ccccc32)c(=S)[nH]1 |
|
AD04824 | 3.35 | 544.75 | C28H48O8S | CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COS(=O)(=O)O |
|
AD04825 | -0.65 | 111.1 | C4H5ON3 | Nc1cn[nH]c(=O)c1 |
|
AD04826 | 0.22 | 223.23 | C11H13O4N | COC(=O)C(Cc1ccc(O)cc1)NC=O |
|
AD04827 | 4.45 | 471.7 | C25H45O5NS | CCCCCCCCCCCCCCC(O)C(O)C(CO)NS(=O)(=O)c1cccc(C)c1 |
|
AD04828 | 0.36 | 134.2 | C4H10ON2S | CNC(=O)SC(C)N |
|
AD04829 | 6.97 | 508.96 | C21H43O8P2Cl | CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OC |
|
AD04830 | 0.01 | 286.76 | C14H19O3N2Cl | NC1CC(N)C(O)C(OCc2ccc(Cl)cc2)C1O |