harpagoside [M+H]+ structure

harpagoside [M+H]+

[4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate

Also Known As: Harpagoside|harpagoside [M+H]+|[4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate

CAS: 19210-12-9
Molecular Formula C24H30O11
Molecular Weight 494.1788 g/mol
LogP -1.1999
Topological Polar Surface Area 175.37 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
Rotatable Bonds 6
Exact Mass 494.1788
Monoisotopic Mass 494.1788
Heavy Atoms 35
Complexity 950.0486

Chemical Identifiers

CAS Number 19210-12-9
SMILES CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4

Product Overview

harpagoside [M+H]+ (CAS 19210-12-9), with molecular formula C24H30O11 and molecular weight 494.1788 g/mol. IUPAC: [4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate.

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