ChemSpider 2D Image | 5-[3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-chromeniumyl]-2,3-dihydroxyphenyl beta-D-glucopyranoside | C33H41O22

5-[3,5-Bis(β-D-glucopyranosyloxy)-7-hydroxy-2-chromeniumyl]-2,3-dihydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC33H41O22
  • Average mass789.665 Da
  • Monoisotopic mass789.208374 Da
  • ChemSpider ID26330632

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

5-[3,5-Bis(β-D-glucopyranosyloxy)-7-hydroxy-2-chromeniumyl]-2,3-dihydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
5-[3,5-Bis(β-D-glucopyranosyloxy)-7-hydroxy-2-chromeniumyl]-2,3-dihydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-[3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-chroméniumyl]-2,3-dihydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-[3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium-2-yl]-2,3-dihydroxyphenyl [ACD/Index Name]
delphinidin 3,3',5-tri-O-glucoside
delphinidin 3,3',5-tri-O-β-D-glucoside
delphinidin 3,5,3'-triglucoside

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

5373533 [DBID]
  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation consisting of delphinidin with three beta-D-glucosyl residues attached to the 3-, 3'- and 5-hydroxy groups. ChEBI CHEBI:55456

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: 22
#H bond donors: 15
#Freely Rotating Bonds: 10
#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: 372 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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