ChemSpider 2D Image | 3-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl 3,6-bis-O-(carboxyacetyl)-beta-D-glucopyranoside | C42H41O24

3-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl 3,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC42H41O24
  • Average mass929.760 Da
  • Monoisotopic mass929.198242 Da
  • ChemSpider ID4445359

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl 3,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl-3,6-bis-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,6-Bis-O-(2-carboxyacétyl)-β-D-glucopyranoside de 3-({6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphényl)-5-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl, 3,6-bis(2-carboxyacetate) [ACD/Index Name]
salvianin

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

C12647 [DBID]

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: 24
#H bond donors: 11
#Freely Rotating Bonds: 19
#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: 386 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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