aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44201 | 1.59 | 356.42 | C20H24O4N2 | OCC(OC(O)C=NCc1ccccc1)C(O)C=NCc1ccccc1 |
|
AD44202 | 0.98 | 377.18 | C13H11O2N7Br | COc1ccc(C=NNC2=Nc3c(nc(N)[nH]c3=O)[N]2)cc1Br |
|
AD44203 | 1.37 | 391.21 | C14H13O2N7Br | CCOc1ccc(Br)cc1C=NNC1=Nc2c(nc(N)[nH]c2=O)[N]1 |
|
AD44204 | 2.02 | 407.21 | C14H13O3N7Br | COc1cc(Br)c(CN=NC2=Nc3c(nc(N)[nH]c3=O)[N]2)cc1OC |
|
AD44205 | -0.86 | 536.48 | C17H34O11N2P2S | C#CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC |
|
AD44206 | 0.88 | 392.15 | C12H8O3N8Br | Nc1nc2c(c(=O)[nH]1)N=C(NN=Cc1ccc(Br)c([N+](=O)[O-])c1)[N]2 |
|
AD44207 | 1.0 | 413.45 | C22H25O6N2 | C=CC1C(O)OC=C(C(=O)OC)C1CC1[NH2+]C(C(=O)O)Cc2c1[nH]c1ccccc21 |
|
AD44208 | -0.12 | 500.48 | C21H24O12S | CC(=O)OCC1(O)C(OS(C)(=O)=O)C(OC(=O)c2ccc(OC(C)=O)cc2)C2C=COC(O)C21 |
|
AD44209 | -0.4 | 286.28 | C13H18O7 | CC(=O)OCC12OC1C(OC(C)=O)C1CCOC(O)C12 |
|
AD44210 | 2.55 | 360.32 | C18H16O8 | COc1cc(-c2coc3cc(O)c(OC)c(=O)c-3c2O)cc(O)c1OC |