aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44191 | -0.21 | 189.17 | C6H11O4N3 | NC1CCC([N+](=O)[O-])CC1[N+](=O)[O-] |
|
AD44192 | -0.1 | 278.22 | C11H10O5N4 | COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1[N+](=O)[O-] |
|
AD44193 | 1.4 | 288.33 | C13H12O2N4S | Cc1cc2n(C)c3[nH]c(=O)[nH]c(=O)c3nc-2c(=S)c1C |
|
AD44194 | 2.03 | 395.4 | C15H17O6N5S | CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1cc(C)c(=O)[nH]c1=O |
|
AD44195 | 2.24 | 468.51 | C25H28O7N2 | O=c1c(-c2ccc(O)cc2)coc2c(CN3CCOCC3)c(O)c(CN3CCOCC3)c(O)c12 |
|
AD44196 | 1.12 | 204.21 | C9H10ON5 | CCCC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD44197 | -0.31 | 538.49 | C17H36O11N2P2S | CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C(C)C |
|
AD44198 | 1.99 | 360.45 | C21H28O5 | CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO |
|
AD44199 | 0.92 | 206.15 | C10H6O5 | O=C1C=C(O)C(=O)c2c(O)ccc(O)c21 |
|
AD44200 | 1.28 | 356.42 | C20H24O4N2 | OCC(OC(O)CN=Cc1ccccc1)C(O)CN=Cc1ccccc1 |