ChemSpider 2D Image | Margaritene | C28H32O14

Margaritene

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID34999318

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-desoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-désoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
64271-10-9 [RN]
acacetin-8-C-neohesperidoside
D-Glucitol, 1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
Margaritene
(1S)-1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
2''-O-α-rhamnosyl-4'-O-methylvitexin
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
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  • Miscellaneous

    • Chemical Class:

      A flavone <element>C</element>-glycoside that is acacetin substituted by an <stereo>alpha</stereo>-rhamnosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-glucopyranosyl residue at position 8 via a <element>C</element>-glycosidic linkage. It has been isolated from <ital>Fortunella japonica</ital> and <ital>Fortunella margarita</ital>. ChEBI CHEBI:70626
      A flavone C-glycoside that is acacetin substituted by an alpha-rhamnosyl-(1->2)-beta-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Fortunella japonica and Fortunella margarita. ChEBI CHEBI:70626
      A flavone C-glycoside that is acacetin substituted by an alpha-rhamnosyl-(1right2)-beta-glucopyranosyl residue at position 8 via a ; C-glycosidic linkage. It has been isolated from Fortunella japonic a and Fortunella margarita. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70626

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 872.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 287.8±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 83.13
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 225 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 100.7±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

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