aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12871 | 3.22 | 674.96 | C36H70O9N2 | CCCCCCCNC1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C |
|
AD12872 | 3.15 | 242.27 | C15H14O3 | COC(=O)c1ccc(-c2ccccc2OC)cc1 |
|
AD12873 | 3.95 | 412.43 | C22H18O2N7 | O=[N+]([O-])c1cccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1 |
|
AD12874 | 1.91 | 269.24 | C12H9O2N6 | O=[N+]([O-])c1nc2c(c(NCc3ccccc3)n1)N=C[N]2 |
|
AD12875 | 5.0 | 437.52 | C23H23O4N3S | CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(O)cccc23)c(OC)c1 |
|
AD12876 | -2.93 | 325.34 | C11H19O8NS | CC(=O)NC1C(O)CC(S)(C(=O)O)OC1C(O)C(O)CO |
|
AD12877 | 3.16 | 678.91 | C37H62O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2C(C)C(OCN2Cc2ccccc2)C1(C)O |
|
AD12878 | 1.79 | 628.97 | C12H14O3N3I3 | CC(=O)N(C)c1c(I)c(N)c(I)c(C(=O)NCCO)c1I |
|
AD12879 | 1.49 | 402.44 | C22H26O7 | Cc1c(CC2CC(O)C(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3 |
|
AD12880 | 1.28 | 272.21 | C14H8O6 | O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 |