aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05161 | 1.32 | 313.36 | C11H24O5NPS | COP(O)(=S)OCCCC(=O)NCCCCCCO |
|
AD05162 | 2.29 | 250.34 | C15H22O3 | CC1=CCC(O)C2(C)CCC3C(C)C(=O)OC3C12 |
|
AD05163 | 1.48 | 868.73 | C26H39O17N4P3S3 | Cc1cn(C2CC(OC3CC(O)CC(OP(=O)(S)OC4CC(n5cc(C)c(=O)[nH]c5=O)OC4COP(=O)(O)S)C3)C(COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD05164 | 3.5 | 558.71 | C32H46O8 | CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C |
|
AD05165 | 2.17 | 117.15 | C8H7N | c1ccc2[nH]ccc2c1 |
|
AD05166 | 6.05 | 411.67 | C25H49O3N | CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCC |
|
AD05167 | 3.51 | 383.38 | C18H26O6NP | COc1ccc(OP(=O)(O)N2CCCC2C(=O)OC2CCCCC2)cc1 |
|
AD05168 | 0.94 | 165.2 | C6H5N4S | Nc1nc2c(c(=S)[nH]1)C=C[N]2 |
|
AD05169 | -0.55 | 228.24 | C11H16O5 | COC1OC2(C)CC(=O)C3CC2(O)C13CO |
|
AD05170 | -1.33 | 334.87 | C4H3O9P3Cl2 | COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-] |