aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20731 | 3.75 | 254.33 | C17H18O2 | Cc1ccccc1Cc1ccc2c(c1)OCCCO2 |
|
AD20732 | 4.65 | 302.8 | C19H19O2Cl | COc1ccc(Cc2ccc3c(c2Cl)CC(C)(C)O3)cc1 |
|
AD20733 | 5.0 | 316.83 | C20H21O2Cl | CCOc1ccc(Cc2ccc3c(c2Cl)OCC3(C)C)cc1 |
|
AD20734 | 7.28 | 500.76 | C32H52O4 | CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(=O)C2C(C(C)(O)CCC=C(C)C)CCC23C)C1(C)C |
|
AD20735 | 5.18 | 422.48 | C25H26O6 | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(O)cc1 |
|
AD20736 | 3.59 | 292.33 | C19H16O3 | O=C(Oc1ccc(CCO)cc1)c1ccc2ccccc2c1 |
|
AD20737 | 3.7 | 309.3 | C13H8N4F3S | FC(F)(F)c1cccc(CSc2ncnc3c2N=C[N]3)c1 |
|
AD20738 | 8.41 | 1433.19 | C75H55O19N9Cl2 | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(COc3ccc(-c4ccccc4)cc3)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD20739 | 1.26 | 218.08 | C4H12O6P2 | COP(=O)(O)CP(=O)(OC)OC |
|
AD20740 | 1.29 | 281.32 | C11H13O3N4S | COc1cccc(N(CC2=C[N]N=N2)S(C)(=O)=O)c1 |