aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08001 | -0.34 | 425.51 | C18H27O5N5S | COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCN |
|
AD08002 | 3.27 | 509.48 | C27H19O6N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cc(CO)ccn1 |
|
AD08003 | 10.84 | 614.95 | C39H66O5 | CCCCCC=CCC=CCCC=CCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCCC |
|
AD08004 | -0.43 | 610.51 | C26H31O13N2P | COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)O1 |
|
AD08005 | 1.08 | 290.28 | C13H14O4N4 | O=c1[nH]ccc(=NOCCCc2ccc([N+](=O)[O-])cc2)[nH]1 |
|
AD08006 | 2.15 | 272.26 | C13H11ON5F | COc1ccc(CNc2ncnc3c2N=C[N]3)c(F)c1 |
|
AD08007 | 3.17 | 268.27 | C16H12O4 | COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 |
|
AD08008 | 2.64 | 250.29 | C14H12N5 | C=Cc1ccc(CNc2ncnc3c2N=C[N]3)cc1 |
|
AD08009 | 10.16 | 608.9 | C39H60O5 | CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCCC |
|
AD08010 | 10.61 | 612.94 | C39H64O5 | CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC(CO)COC(=O)CCCCCCCCCCCCC |