aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05921 | -2.67 | 1019.81 | C31H40O20N7P3S3 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1C2OCC1(COP(O)(=S)OC1C3OCC1(CO)OC3n1ccc(N)nc1=O)OC2n1ccc(=O)[nH]c1=O |
|
AD05922 | -3.09 | 685.52 | C20H25O14N5P2S2 | Nc1ccn(C2OC3(COP(O)(O)=S)COC2C3OP(O)(=S)OCC23COC(C(n4ccc(=O)[nH]c4=O)O2)C3O)c(=O)n1 |
|
AD05923 | -4.46 | 304.35 | C12H24O5N4 | NCC1OC(OC2C(N)CC(N)C(O)C2O)C2NC2C1O |
|
AD05924 | 0.65 | 215.6 | C7H6O2N5Cl | [N-]=[N+]=NC(CCl)c1c[nH]c(=O)[nH]c1=O |
|
AD05925 | 4.53 | 393.46 | C22H19O4NS | CN(C)c1cccc2c(S(=O)(=O)Oc3ccc4cc(O)ccc4c3)cccc12 |
|
AD05926 | 5.68 | 347.89 | C18H14ONClS2 | C=CCOc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1 |
|
AD05927 | 2.99 | 444.61 | C27H40O5 | CC1CC(=O)C(O)C2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O |
|
AD05928 | 4.14 | 305.79 | C16H12O2NClS | OCc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD05929 | 4.31 | 426.55 | C25H28N7 | NC1CCC(Nc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)CC1 |
|
AD05930 | -0.65 | 469.56 | C15H23O8N3S3 | CC(=O)NC(CSC(=S)NC(C(=O)O)C(C)SCC(NC(C)=O)C(=O)O)C(=O)O |