aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14621 | 2.59 | 300.27 | C16H12O6 | COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O |
|
AD14622 | 0.89 | 149.2 | C8H11N3 | CC1=NN(C)C2N=CC=CC12 |
|
AD14623 | 2.69 | 317.72 | C14H10O2N6Cl | COc1ccc(NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD14624 | 5.81 | 2912.42 | C88H115O47N30P9S9 | COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1CO |
|
AD14625 | 0.97 | 360.4 | C15H16O3N6S | Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)n1 |
|
AD14626 | 0.57 | 189.2 | C8H9N6 | C=CCNc1nc(N)nc2c1N=C[N]2 |
|
AD14627 | 3.27 | 259.29 | C16H11N4 | Nc1ncnc2c1-c1cc(-c3ccccc3)ccc1[N]2 |
|
AD14628 | 2.09 | 211.25 | C12H11N4 | CN(C)c1ncnc2c1-c1ccccc1[N]2 |
|
AD14629 | 2.33 | 182.21 | C11H8N3 | Cc1ncnc2c1-c1ccccc1[N]2 |
|
AD14630 | 2.19 | 348.4 | C19H24O6 | Oc1ccc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)cc1O |