aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05931 | 1.21 | 116.16 | C6H12O2 | CCOC(=O)C(C)C |
|
AD05932 | 2.36 | 228.2 | C13H8O4 | O=c1c2ccc(O)cc2oc2cc(O)ccc12 |
|
AD05933 | -0.32 | 188.99 | C4H3ON3Br | NC(=O)C1=N[N]C=C1Br |
|
AD05934 | -0.76 | 405.41 | C19H23O7N3 | CNC(=O)CN1C(=O)C2NC(c3cccc(OC)c3OC)C(C(=O)OC)C2C1=O |
|
AD05935 | 0.3 | 394.26 | C4H13O9P3S3 | COP(O)(=S)OCC(OP(O)(O)=S)OP(O)(=S)OC |
|
AD05936 | 1.0 | 346.25 | C16H10O9 | Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(O)c(O)c(O)c1C2=O |
|
AD05937 | -0.34 | 368.34 | C17H20O9 | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O |
|
AD05938 | 4.89 | 490.73 | C30H50O5 | CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(=O)CC12C |
|
AD05939 | -2.24 | 153.14 | C5H7ON5 | NC1=NC2NC=NC2C(=O)N1 |
|
AD05940 | 0.78 | 165.2 | C6H5N4S | CSc1ncnc2c1C=N[N]2 |