ChemSpider 2D Image | 3-[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside | C33H41O20

3-[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl β-D-glucopyranoside

  • Molecular FormulaC33H41O20
  • Average mass757.666 Da
  • Monoisotopic mass757.218567 Da
  • ChemSpider ID391983

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

135558-26-8 [RN]
3-[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl β-D-glucopyranoside
3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumyl β-D-glucopyranoside [ACD/IUPAC Name]
3-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-{[6-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphényl)-7-hydroxy-5-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium-5-yl [ACD/Index Name]
3-[6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl β-D-glucopyranoside
62024-14-0 [RN]
cyanidin 3-O-rutinoside 5-O-β-D-glucoside
Cyanidin 3-rutinoside-5-glucoside

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

135558-26-8; 62024-14-0 [DBID]
C12646 [DBID]
  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation that is cyanidin in which the hydroxyl hydrogens at positions 3 and 5 are replaced by rutinosyl and glucosyl residues respectively. ChEBI CHEBI:16596

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: 20
#H bond donors: 13
#Freely Rotating Bonds: 9
#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: 332 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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