aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20741 | 3.46 | 310.27 | C16H13O3F3 | O=C(Oc1ccc(CCO)cc1)c1ccc(C(F)(F)F)cc1 |
|
AD20742 | 1.84 | 523.54 | C27H29O8N3 | CCC1(OC(=O)NCCOCCOCCO)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
AD20743 | 3.9 | 225.27 | C15H12NF | Fc1ccc2[nH]cc(Cc3ccccc3)c2c1 |
|
AD20744 | 2.01 | 296.42 | C13H16O2N2S2 | O=c1c2c3c(sc2nc(S)n1CCO)CCCCC3 |
|
AD20745 | 2.75 | 398.37 | C21H18O8 | CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2OC(C)=O |
|
AD20746 | 2.31 | 314.29 | C17H14O6 | CC(=O)OC1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 |
|
AD20747 | 2.67 | 524.74 | C29H52O6N2 | CCC1OC(=O)CC(O)C(C)C(O)C(CCN(C)CCCN(C)C)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD20748 | 3.11 | 421.62 | C25H43O4N | CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C |
|
AD20749 | 4.25 | 397.43 | C18H24O5NPS | COC(=O)C(CCCSC)NP(=O)(OC)Oc1cccc2ccccc12 |
|
AD20750 | 5.71 | 308.45 | C20H20OS | CCOc1ccc(Cc2cccc(-c3cccs3)c2C)cc1 |