aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40841 | -0.71 | 160.17 | C7H12O4 | CC(CO)C1(O)COC(=O)C1 |
|
AD40842 | -0.51 | 197.19 | C8H11O3N3 | CC(=O)NC1=CCNC(OC(C)=O)=N1 |
|
AD40843 | -0.59 | 202.16 | C8H10O6 | CC(=O)OC1COC(=O)C1OC(C)=O |
|
AD40844 | 2.73 | 320.34 | C17H20O6 | COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2 |
|
AD40845 | -0.85 | 261.41 | C13H31O2N3 | CCCCCC[NH2+]CCN(C)CCC([NH3+])C(=O)O |
|
AD40846 | 1.71 | 203.22 | C10H11ON4 | C1=Nc2c(ncnc2OC2CCCC2)[N]1 |
|
AD40847 | 1.48 | 201.21 | C10H9ON4 | C1=CC(Oc2ncnc3c2N=C[N]3)CC1 |
|
AD40848 | 1.32 | 189.2 | C9H9ON4 | C1=Nc2c(ncnc2OC2CCC2)[N]1 |
|
AD40849 | 1.56 | 191.21 | C9H11ON4 | CCC(C)Oc1ncnc2c1N=C[N]2 |
|
AD40850 | 0.93 | 175.17 | C8H7ON4 | C1=Nc2c(ncnc2OC2CC2)[N]1 |