aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12221 | 0.53 | 102.09 | C4H6O3 | CC(=CO)C(=O)O |
|
AD12222 | 1.26 | 119.12 | C7H5ON | N#Cc1ccc(O)cc1 |
|
AD12223 | 3.98 | 390.41 | C18H31O7P | CC(C)=CCCC(C)=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O |
|
AD12224 | 3.47 | 447.44 | C25H21O7N | O=C(O)c1cc(C(=O)NCCCCO)cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1 |
|
AD12225 | 4.61 | 496.56 | C30H28O5N2 | O=C(NCCOCCNC(=O)c1cccc(-c2ccc(O)cc2)c1)c1cccc(-c2ccc(O)cc2)c1 |
|
AD12226 | -0.66 | 236.29 | C8H16O4N2S | CCOC(=O)C1CCN(S(=O)(=O)NC)C1 |
|
AD12227 | 1.54 | 338.34 | C15H14O7S | Oc1cc(C2Oc3c(S)c(O)cc(O)c3CC2O)cc(O)c1O |
|
AD12228 | 2.66 | 212.21 | C12H7N3F | FC1=C[N]c2ncnc(-c3ccccc3)c21 |
|
AD12229 | 2.17 | 153.25 | C8H11NS | c1csc(C2CCCN2)c1 |
|
AD12230 | 4.41 | 241.72 | C16H12NCl | Clc1cccc2c(Cc3ccccc3)c[nH]c12 |