aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10951 | 1.49 | 163.22 | C10H13ON | NC(=O)CCCc1ccccc1 |
|
AD10952 | 8.48 | 1443.36 | C77H73O17N9Cl2 | CCCCc1ccc(CN(C)C2C(=O)NC3Cc4ccc(cc4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(cc(O)c3Cl)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)NCCCN(C)C)NC4=O)cc1 |
|
AD10953 | 1.59 | 188.23 | C11H12ON2 | NC(=O)CCc1c[nH]c2ccccc12 |
|
AD10954 | 1.23 | 219.2 | C11H9O4N | COc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 |
|
AD10955 | 6.78 | 514.75 | C32H50O5 | CC1(C)CCC2(C(=O)OCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD10956 | 1.99 | 268.07 | C10H6O3NBr | O=C(O)c1c[nH]c2ccc(Br)cc2c1=O |
|
AD10957 | 1.28 | 276.34 | C15H20O3N2 | CC(=Cc1ccc(O)c(O)c1)C(=O)N1CCN(C)CC1 |
|
AD10958 | 5.63 | 1048.06 | C55H57O18N3 | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)c3cc([N+](=O)[O-])ccc3O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
|
AD10959 | 2.49 | 218.25 | C13H14O3 | O=C1CCC2CCCc3cc(O)c(O)c1c32 |
|
AD10960 | 2.11 | 388.43 | C16H18O3N7S | CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1 |