4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-[2-(4-methylphenyl)ethyl]benzofuran

HCID 67136359
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Basic information

Standard SMILES
CC(=O)OC[C@H]1O[C@@H](Oc2cccc3occ(CCc4ccc(C)cc4)c23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
MQCRSFJGSUQVHE-OVFXHNNVSA-N
Molecular formula
C31H34O11
Average molar mass
582.6 g/mol
Monoisotopic mass
582.2101119

Names & identifiers

Preferred name
4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-[2-(4-methylphenyl)ethyl]benzofuran
IUPAC
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[3-[2-(4-methylphenyl)ethyl]-1-benzofuran-4-yl]oxy]oxan-2-yl]methyl acetate

Names & synonyms

SCHEMBL1728289MQCRSFJGSUQVHE-OVFXHNNVSA-N4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-[2-(4-methylphenyl)ethyl]benzofuran

Database identifiers

PubChem CID
67136359

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
137 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
14
Heavy atoms
42

Related reactions

1 records
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Compound notes

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