aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12411 | 5.28 | 522.55 | C29H30O9 | CCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=O |
|
AD12412 | -0.75 | 207.17 | C7H7O2N6 | N=C(NO)C1=C[N]c2nc[nH]c(=NO)c21 |
|
AD12413 | 1.63 | 290.31 | C15H12N7 | Nc1ncnc2c1N=C(NCc1ccc3ncccc3c1)[N]2 |
|
AD12414 | 3.61 | 294.38 | C17H14ON2S | O=c1[nH]cc(C(c2ccccc2)c2ccccc2)c(=S)[nH]1 |
|
AD12415 | 1.26 | 87.51 | C4H2NCl | C=C(Cl)C#N |
|
AD12416 | 2.04 | 246.22 | C13H10O5 | COc1c2ccoc2cc2oc(CO)cc(=O)c12 |
|
AD12417 | 2.24 | 251.29 | C15H13ON3 | CNn1c(-c2ccccc2)nc2ccccc2c1=O |
|
AD12418 | 2.83 | 361.44 | C20H27O5N | CCn1cc(C(=O)O)c(=O)c2cc(CCCCCOCCCO)ccc21 |
|
AD12419 | -0.14 | 137.16 | C7H9ON2 | CNC(=O)c1ccc[nH+]c1 |
|
AD12420 | 0.1 | 128.11 | C5H5ON2F | Nc1cc(=O)[nH]cc1F |