aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00161 | 6.5 | 460.74 | C30H52O3 | CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
|
AD00162 | 10.73 | 592.95 | C37H68O5 | CCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
|
AD00163 | 1.75 | 68.12 | C5H8 | C=CC=CC |
|
AD00164 | 1.91 | 449.54 | C24H35O7N | COC(C(C)=CC=CCNC(=O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1 |
|
AD00165 | 10.14 | 922.94 | C56H42O13 | Oc1ccc(C2Oc3c(O)c(O)cc(C4c5c(O)cc6c7c5C(C(c5ccc(O)cc5)c5c(O)cc(O)cc5C7C(c5ccc(O)cc5)O6)C4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1 |
|
AD00166 | -0.31 | 98.11 | C3H6N4 | CCn1ncnn1 |
|
AD00167 | 1.75 | 362.21 | C14H14ON6Br | Nc1nc(NC(CO)Cc2ccc(Br)cc2)nc2c1N=C[N]2 |
|
AD00168 | 2.39 | 248.27 | C14H10N5 | C1=Nc2c(Cn3ccc4ccccc43)ncnc2[N]1 |
|
AD00169 | 3.58 | 363.4 | C19H19O2N6 | CCCCC#Cc1nc2c(c(NC(=O)Nc3ccc(OC)cc3)n1)N=C[N]2 |
|
AD00170 | -0.25 | 73.09 | C3H7ON | CCNC=O |