aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44441 | 2.46 | 336.78 | C14H11O2N5ClS | Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c(C)cc1Cl |
|
AD44442 | 2.14 | 289.24 | C14H11O6N | O=C(Cc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O |
|
AD44443 | 3.03 | 220.22 | C12H6N5 | c1ccc2nc3cc4c(cc3nc2c1)[N]N=N4 |
|
AD44444 | 0.55 | 487.23 | C11H24O14NP3 | COc1cc(C(C)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC)c([N+](=O)[O-])cc1OC |
|
AD44445 | 3.52 | 336.3 | C19H12O6 | Cc1ccc(C(=O)O)c2c1c(=O)oc1c2cc(O)c2cccc(O)c21 |
|
AD44446 | 1.52 | 198.13 | C7H6O5N2 | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O |
|
AD44447 | 1.61 | 370.36 | C20H18O7 | COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3 |
|
AD44448 | 2.35 | 437.52 | C25H29O5N2 | O=c1c(-c2ccc(O)cc2)coc2c(CN3CCCC3)c(O)c(C[NH+]3CCCC3)c(O)c12 |
|
AD44449 | 1.9 | 265.31 | C11H7O3NS2 | O=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2 |
|
AD44450 | 1.71 | 258.27 | C15H14O4 | CC1=CC(O)C2C(=O)c3cccc(O)c3C(=O)C2C1 |