aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20561 | -1.05 | 102.14 | C4H10ON2 | CNCC(=O)NC |
|
AD20562 | 4.34 | 393.66 | C19H39O3NS2 | CCCCCCCCCSSCCCNC1(C)CC(O)OC(C)C1O |
|
AD20563 | 2.47 | 304.3 | C16H16O6 | COc1cccc(OC)c1C(=O)OCc1cc(O)ccc1O |
|
AD20564 | 2.88 | 290.76 | C13H9N5ClS | Nc1ncnc2c1N=C(SCc1ccc(Cl)cc1)[N]2 |
|
AD20565 | 0.36 | 141.17 | C5H5ON2S | CSC1=NC(=O)C=C[N]1 |
|
AD20566 | 2.11 | 485.53 | C25H25O3N8 | CC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1 |
|
AD20567 | -1.88 | 89.07 | C3H5O3 | CC(O)C(=O)[O-] |
|
AD20568 | 3.14 | 230.31 | C14H18ON2 | Cc1cccc(Cc2c(O)n[nH]c2C(C)C)c1 |
|
AD20569 | -9.14 | 1813.94 | C69H126O25N26P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSCc1cn(CCCCC(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(C)=O)C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O)nn1 |
|
AD20570 | 3.19 | 287.33 | C17H18O2NF | CC(=O)NCCc1cc(C)c(O)cc1-c1cccc(F)c1 |