Isoscrophulariosid structure

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

CAS: 25654-86-8
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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