Isoscrophulariosid
[(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate
Also Known As: Isoscrophulariosid|Isoscrophularioside|SCROPHULARIOSID ISO|[(1S,4aR,5S,7aS)-1-(Hexopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (2E)-3-phenylprop-2-enoate|[(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate
| Molecular Formula | C24H28O10 |
|---|---|
| Molecular Weight | 476.16824 g/mol |
| LogP | -0.5372 |
| Topological Polar Surface Area | 155.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.16824 |
| Monoisotopic Mass | 476.16824 |
| Heavy Atoms | 34 |
| Complexity | 926.94116 |
Chemical Identifiers
| CAS Number | 25654-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OCC2=C[C@H]([C@H]3[C@@H]2[C@@H](OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Isoscrophulariosid (CAS 25654-86-8), with molecular formula C24H28O10 and molecular weight 476.16824 g/mol. IUPAC: [(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate.
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