aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44581 | -1.91 | 240.2 | C6H4O3N6S | O=c1nc(Sc2n[nH]c(=O)[nH]c2=O)cn[nH]1 |
|
AD44582 | 3.07 | 279.3 | C17H13O3N | O=C(Cc1ccc2ncccc2c1)c1ccc(O)cc1O |
|
AD44583 | 2.86 | 285.3 | C16H15O4N | COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O |
|
AD44584 | 2.83 | 315.33 | C17H17O5N | CCOC(=O)c1ccc(NC(=O)c2ccc(O)c(OC)c2)cc1 |
|
AD44585 | 2.76 | 233.13 | C8H9OSBr | SCCOc1ccc(Br)cc1 |
|
AD44586 | -0.77 | 152.16 | C5H8N6 | Cn1nnc2c1NC=NC2N |
|
AD44587 | 3.23 | 196.46 | C9H4NCl3 | Nc1c(Cl)cc(Cl)cc1Cl |
|
AD44588 | 3.1 | 326.3 | C18H14O6 | COc1ccc(-c2coc3cc(O)cc(OC(C)=O)c3c2=O)cc1 |
|
AD44589 | 5.05 | 327.39 | C21H17ON3 | Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 |
|
AD44590 | 3.1 | 331.35 | C16H13O5NS | CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1cscn1 |