aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16931 | 5.05 | 282.43 | C20H26O | C=CC1CCC2C3CCc4cc(O)ccc4C3CCC12C |
|
AD16932 | -0.72 | 270.31 | C10H14O3N4S | Nc1ccc(SCC(N)C(=O)NCC(=O)O)nc1 |
|
AD16933 | 1.6 | 117.13 | C7H5N2 | C1=Nc2ccccc2[N]1 |
|
AD16934 | 1.49 | 764.9 | C37H64O16 | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)CC |
|
AD16935 | 3.51 | 372.37 | C20H20O7 | COc1cc(-c2coc3c(OC)c(O)c(OC)cc3c2=O)cc(OC)c1C |
|
AD16936 | 3.05 | 198.22 | C13H10O2 | O=C(O)c1ccc(-c2ccccc2)cc1 |
|
AD16937 | -0.04 | 271.98 | CH7O10P3 | COP(=O)(OP(=O)(O)O)OP(=O)(O)O |
|
AD16938 | -1.23 | 112.07 | C2H2ON5 | NC(=O)C1=NN=N[N]1 |
|
AD16939 | 2.06 | 689.86 | C36H51O5N9 | CN(C)CCCc1cc2c3c(c(NCCCn4cc(CCO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=O |
|
AD16940 | 1.56 | 604.71 | C31H40O5N8 | CN(C)CCCN1C(=O)c2ccc3c4c(c(NCCCn5cc(CCO)nn5)cc(c24)C1=O)C(=O)N(CCCN(C)C)C3=O |