amarogentin

Also known as (4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl- 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranoside, sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester

Amarogentin is a chemical compound found in gentian

Chemical data

Formula: C29H30O13
Molecular weight: 586.5 g/mol
IUPAC name: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
SMILES: C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O
InChIKey: DBOVHQOUSDWAPQ-WTONXPSSSA-N
XLogP: 2.4
Polar surface area: 202 Å²
H-bond donors: 6
H-bond acceptors: 13
Formal charge: 0

via PubChem

Wikidata facts

Has part: hydrogen
Mass: 586.168641

Show 6 more facts

found in taxon: Swertia japonica
chemical formula: C₂₉H₃₀O₁₃
canonical SMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O
isomeric SMILES: C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O
has characteristic: bitterness
Commons category: Amarogentin

Sources (2)

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Encyclopedic overview

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Contents

See also
References

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Amarogentin is a chemical compound found in gentian

Excerpted from Wikipedia’s “amarogentin” article, available under the CC BY-SA 4.0 licence.