aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11301 | -1.3 | 173.22 | C7H15O2N3 | NNC(=O)CCN1CCOCC1 |
|
AD11302 | 2.4 | 259.3 | C15H17O3N | Cc1c(O)ccc2c(CN3CCCC3)cc(=O)oc12 |
|
AD11303 | 13.36 | 537.01 | C37H76O | CCC(C)CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC(C)CC |
|
AD11304 | -0.7 | 111.08 | C3H3ON4 | NC(=O)C1=C[N]N=N1 |
|
AD11305 | 3.99 | 446.5 | C24H30O8 | COc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1O |
|
AD11306 | 2.59 | 330.29 | C17H14O7 | COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC |
|
AD11307 | 4.17 | 544.73 | C32H48O7 | CC(=O)OC1CC2(CO)C(CCC3(C)C2CCC2=C4C(=O)CC5C(C)COC(O)C45CCC23C)C(C)(C)C1O |
|
AD11308 | -0.23 | 279.31 | C10H11O2N6S | N=C(S)CCNC(=O)C1=C[N]c2nc(N)nc(O)c21 |
|
AD11309 | 7.6 | 895.08 | C53H54O4N10 | CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1 |
|
AD11310 | 0.56 | 177.19 | C8H9ON4 | CCCn1cnc2c(c1=O)N=C[N]2 |