aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17911 | 2.82 | 316.31 | C17H16O6 | COc1ccc(C2CC(=O)c3c(OC)cc(O)cc3O2)cc1O |
|
AD17912 | 3.28 | 606.61 | C22H44O11N2P2S | CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD17913 | 0.92 | 472.22 | C9H23O12N4P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)NCCOCCOCCOCCN=[N+]=[N-] |
|
AD17914 | 5.65 | 454.48 | C28H22O6 | Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc(O)c4)cc3C2c2cc(O)cc(O)c2)cc1 |
|
AD17915 | 1.13 | 282.3 | C15H14O2N4 | CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccn1 |
|
AD17916 | 2.58 | 299.37 | C17H21O2N3 | CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CCC1=CCCCC1 |
|
AD17917 | -4.01 | 984.07 | C45H53O11N13S | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(SCC(=O)c4ccccc4)oc3c2)NC1=O |
|
AD17918 | 2.36 | 248.32 | C15H20O3 | C=C1CCC(O)C2(C)CC3OC(=O)C(C)=C3CC12 |
|
AD17919 | -1.28 | 353.4 | C12H23O7N3S | COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C(N)CCC(=O)O |
|
AD17920 | 1.85 | 248.27 | C14H10N5 | C(#Cc1ccccc1)CNc1ncnc2c1N=C[N]2 |