aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22321 | -1.03 | 187.19 | C8H7N6 | NCC#CC1=N[N]c2ncnc(N)c21 |
|
AD22322 | 5.06 | 486.48 | C28H22O8 | Oc1ccc(C=Cc2c(O)c(O)cc3c2C(c2cc(O)cc(O)c2O)C(c2ccc(O)cc2)O3)cc1 |
|
AD22323 | -1.01 | 127.1 | C4H5O2N3 | O=c1[nH]ccc(=NO)[nH]1 |
|
AD22324 | 5.43 | 328.37 | C17H16F4S | FC(F)(c1ccccc1)C(F)(F)c1ccc(CCCS)cc1 |
|
AD22325 | 2.23 | 244.25 | C14H12O4 | O=C(Cc1ccccc1)c1c(O)cc(O)cc1O |
|
AD22326 | 4.36 | 429.44 | C26H15O2N5 | O=c1[nH]cc(-n2cc(-c3cc4cccc5c6cccc7cccc(c(c3)c45)c76)nn2)c(=O)[nH]1 |
|
AD22327 | 0.84 | 362.38 | C19H22O7 | COc1ccc(C=CC(=O)OC2CC(O)(CO)C3C(O)OC=CC23)cc1 |
|
AD22328 | 5.31 | 322.49 | C20H34O3 | OCCCCCCCCCCCCCCc1ccc(O)cc1O |
|
AD22329 | 1.28 | 179.22 | C10H13O2N | COc1cccc(CN(C)C=O)c1 |
|
AD22330 | 3.24 | 266.34 | C15H22O4 | CCCCOCC=Cc1cc(OC)c(O)c(OC)c1 |