aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18571 | 4.26 | 288.77 | C18H17O2Cl | COc1ccc(Cc2ccc3c(c2Cl)OCCC3)cc1 |
|
AD18572 | 1.0 | 1163.45 | C58H102O21N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC(=O)N(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC4(C)O)C3O)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD18573 | 1.34 | 299.31 | C14H15O2N6 | COc1ccc(CCNc2nc(N)nc3c2N=C[N]3)cc1O |
|
AD18574 | 8.43 | 667.74 | C36H30O2N6F3S | O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1ccc(-c2scc(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)cc1 |
|
AD18575 | -4.06 | 389.45 | C16H31O6N5 | NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1O |
|
AD18576 | 6.28 | 458.73 | C30H50O3 | C=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C |
|
AD18577 | -0.36 | 189.24 | C6H11O2N3S | CNS(=O)(=O)c1cn(C)nc1C |
|
AD18578 | 6.29 | 470.69 | C30H46O4 | CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C12C)C(=O)O |
|
AD18579 | 3.33 | 446.58 | C26H38O6 | CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O |
|
AD18580 | -0.08 | 158.18 | C5H6O2N2S | O=c1[nH]cc(CO)c(=S)[nH]1 |