aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44121 | 0.82 | 422.43 | C21H26O9 | C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=O |
|
AD44122 | -1.38 | 204.28 | C4H8N6S2 | NC(=S)NN=CC=NNC(N)=S |
|
AD44123 | 0.64 | 402.19 | C14H10O2N8Br | CN(N=C1C(=O)Nc2ccc(Br)cc21)C1=Nc2c(nc(N)[nH]c2=O)[N]1 |
|
AD44124 | 0.95 | 404.37 | C20H20O9 | CC(=O)OCC12OC1C(OC(=O)c1ccc(OC(C)=O)cc1)C1C=COC(O)C12 |
|
AD44125 | -0.23 | 540.51 | C17H38O11N2P2S | CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)C |
|
AD44126 | -0.87 | 512.46 | C15H34O11N2P2S | CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC |
|
AD44127 | -0.48 | 526.48 | C16H36O11N2P2S | CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC |
|
AD44128 | -0.7 | 524.47 | C16H34O11N2P2S | CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC |
|
AD44129 | -0.62 | 526.48 | C16H36O11N2P2S | CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C |
|
AD44130 | 0.04 | 560.5 | C19H34O11N2P2S | CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1 |