aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19221 | -0.05 | 139.14 | C5H7ON4 | CC(=O)NCC1=C[N]N=N1 |
|
AD19222 | 3.09 | 964.29 | C52H89O13N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC32C)C(C)C(O)C1(C)O |
|
AD19223 | 1.97 | 173.22 | C10H11N3 | CCn1nncc1-c1ccccc1 |
|
AD19224 | 1.46 | 317.35 | C16H19O4N3 | COc1cc(C=CC(C)=O)ccc1OCc1cn(CCO)nn1 |
|
AD19225 | 2.08 | 281.29 | C11H24O5NP | CCCC(CCC)C(=O)OCCNP(=O)(O)OC |
|
AD19226 | 4.27 | 435.41 | C23H16ON5F3 | NC1=NC(c2cccc(-c3cncn3O)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 |
|
AD19227 | -0.62 | 251.37 | C11H23O4S | COCCCC[S+]1CC(O)C(C(O)CO)C1 |
|
AD19228 | 6.29 | 646.78 | C38H46O9 | CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(C3=O)C(O)C3CC1C(C)(C)OC2(CC=C(C)C(=O)O)C3=O |
|
AD19229 | 7.02 | 417.72 | C28H51ON | CC(C)CCCC(C)C1CCC2C3CCC4CC(NCO)CCC4(C)C3CCC12C |
|
AD19230 | 3.2 | 296.28 | C17H12O5 | Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCO4)coc12 |