ChemSpider 2D Image | 5-{[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-chromeniumyl 6-O-{(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]-2-propenoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimeth oxyphenyl)-2-propenoyl]-beta-D-xylopyranosyl}-beta-D-glucopyranoside | C61H67O34

5-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-chromeniumyl 6-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]-2-propenoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimeth oxyphenyl)-2-propenoyl]-β-D-xylopyranosyl}-β-D-glucopyranoside

  • Molecular FormulaC61H67O34
  • Average mass1344.164 Da
  • Monoisotopic mass1343.350830 Da
  • ChemSpider ID28540389

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

5-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-chromeniumyl 6-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]-2-propenoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimeth oxyphenyl)-2-propenoyl]-β-D-xylopyranosyl}-β-D-glucopyranoside [ACD/IUPAC Name]
5-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-chromeniumyl-6-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]-2-propenoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimeth oxyphenyl)-2-propenoyl]-β-D-xylopyranosyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-{(2E)-3-[4-(β-D-Glucopyranosyloxy)phényl]-2-propenoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-β-D-xylopyranosyl}-β-D-glucopyranoside de 5-{[6-O-(2-carboxyacétyl)-bê ta-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphényl)-7-hydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium-3-yl 6-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propen-1-yl ]-2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-xylopyranosyl]- [ACD/Index Name]
5-{[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3-yl 6-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimeth
5-{[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3-yl 6-O-{(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-2-O-{2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-β-D-xylopyranosyl}-β-D-glucopyranoside
Arabidopsis anthocyanin A11
Cyanidin 3-O-[2-O-(2-O-(sinapoyl)-bata-D-xylopyranosyl) 6-O-(4-O-(β-D-glucopyranosyl)-p-coumaroyl-bata-D-glucopyranoside] 5-O-[6-O-(malonyl) bata-D-glucopyranoside]
cyanidin 3-O-[6-O-(4-O-β-D-glucopyranosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylopyranosyl)-β-D-glucopyranosyl]-5-O-(6-O-malonyl-β-D-glucopyranoside)
cyanidin 3-O-[6-O-(4-O-β-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-β-D-xylosyl)-β-D-glucosyl]-5-O-(6-O-malonyl-β-D-glucoside)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 34
#H bond donors: 16
#Freely Rotating Bonds: 26
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 525 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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