aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20881 | 3.06 | 599.77 | C33H49O7N3 | CCC(=O)OC1CC(=O)NC(CCCc2cnc3ccccc3c2)CCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD20882 | 3.51 | 612.76 | C34H48O8N2 | CCC(=O)OC1CC(=O)OCCC(C=CCc2cccc3cccnc23)CN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD20883 | 3.33 | 385.4 | C22H16ON5F | NC1=NC(c2ccncc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21 |
|
AD20884 | 7.21 | 543.87 | C32H65O5N | CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)COCCC |
|
AD20885 | 10.06 | 746.13 | C44H79O6N3 | CCCCCCCCCCCCCCC(O)C(O)C(CO)n1cc(COCCCCCCCCCCCCOCCCCOCc2ccccc2)nn1 |
|
AD20886 | 1.08 | 165.2 | C6H5N4S | CSC1=Nc2cncnc2[N]1 |
|
AD20887 | -0.33 | 134.12 | C5H4N5 | NC1=Nc2cncnc2[N]1 |
|
AD20888 | 0.2 | 500.39 | C13H8O15S3 | O=c1c2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc2oc2cc(OS(=O)(=O)O)cc(O)c12 |
|
AD20889 | 2.94 | 296.28 | C17H12O5 | O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12 |
|
AD20890 | 0.88 | 261.25 | C8H5ON8S | O=C(Nc1nncs1)Nc1ncnc2c1N=C[N]2 |