aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01101 | 2.9 | 290.45 | C14H28O3NS | CCCCCCCCCCCCNC(=O)C[S](=O)=O |
|
AD01102 | 0.15 | 249.22 | C8H8O5NFS | COS(=O)(=O)NC(=O)c1ccc(F)cc1O |
|
AD01103 | -0.63 | 352.31 | C11H17O7N2PS | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO |
|
AD01104 | -0.63 | 768.62 | C21H31O15N4P3S3 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(O)=S |
|
AD01105 | -0.39 | 448.35 | C11H18O9N2P2S2 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(O)=S |
|
AD01106 | -1.28 | 754.59 | C20H29O15N4P3S3 | Cc1cn(C2CC(OP(O)(O)=S)C(COP(O)(=S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(O)(O)=S)O2)c(=O)[nH]c1=O |
|
AD01107 | 3.59 | 182.27 | C14H14 | Cc1cccc(Cc2ccccc2)c1 |
|
AD01108 | -0.27 | 284.26 | C13H16O7 | CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12 |
|
AD01109 | 2.78 | 244.67 | C12H7N5Cl | Clc1nc2c(c(Nc3ccccc3)n1)N=C[N]2 |
|
AD01110 | -1.08 | 520.54 | C25H32O10N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCc2ccc(-c3ccccc3O)cc2)O1 |