aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10141 | 3.72 | 388.46 | C22H28O6 | CC(=O)OC12CCC(C)=CCC13CCC2C(C)(C=CC=C(C)C(=O)O)OC3=O |
|
AD10142 | 0.48 | 119.19 | C4H9ONS | COC(=S)N(C)C |
|
AD10143 | 0.79 | 191.22 | C8H11N6 | CCCNc1nc(N)c2c(n1)[N]C=N2 |
|
AD10144 | 1.77 | 703.32 | C19H25O16N5P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2OC(Cc3ccccc3)OC12 |
|
AD10145 | 1.11 | 269.29 | C13H13ON6 | Nc1nc(NCC(O)c2ccccc2)nc2c1N=C[N]2 |
|
AD10146 | 2.43 | 287.34 | C14H13O2N3S | CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 |
|
AD10147 | 2.5 | 393.37 | C17H15O8NS | COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=C[N+](=O)[O-])cc2OC)cc1 |
|
AD10148 | 3.27 | 515.48 | C27H21O8N3 | CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4ccc(O)c([N+](=O)[O-])c4)ccc3nc2-1 |
|
AD10149 | 1.38 | 256.39 | C14H28O2N2 | CCCCCC1CC(C(=O)NCC(C)O)N(C)C1 |
|
AD10150 | 3.47 | 293.73 | C13H7N4FClS | Fc1cccc(Cl)c1CSc1ncnc2c1N=C[N]2 |