aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12801 | 1.97 | 440.53 | C23H36O8 | CCOC(=O)C1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD12802 | 4.73 | 409.23 | C22H10O2N4Cl2 | NN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O |
|
AD12803 | 3.94 | 341.33 | C20H11O3N3 | O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1O |
|
AD12804 | 3.18 | 292.29 | C17H12O3N2 | COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1 |
|
AD12805 | 2.42 | 1088.88 | C31H44O21N6P4S4 | COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=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 |
|
AD12806 | 4.85 | 418.21 | C19H18O5NPCl2 | COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)c(Cl)c1 |
|
AD12807 | 6.32 | 572.78 | C34H52O7 | CC(=O)OCC1(C)C(OC(C)=O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3CC(C)(C(=O)O)CCC3(C)CCC21C |
|
AD12808 | -0.21 | 234.22 | C10H10O3N4 | O=C(O)C(O)Cn1cc(-c2cccnc2)nn1 |
|
AD12809 | 1.54 | 113.16 | C6H11ON | CN=C(C)C=C(C)O |
|
AD12810 | 4.28 | 623.68 | C30H27O4N10S | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc([N+](=O)[O-])cc1 |