ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-deoxy-beta-D-erythro-hexopyranosyl-(1->6)-[(2xi)-D-arabino-hexopyranosyl-(1->3)]-(2xi)-beta-D-xylo-hexopyranoside | C33H41O20

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-deoxy-β-D-erythro-hexopyranosyl-(1->6)-[(2ξ)-D-arabino-hexopyranosyl-(1->3)]-(2ξ)-β-D-xylo-hexopyranoside

  • Molecular FormulaC33H41O20
  • Average mass757.666 Da
  • Monoisotopic mass757.218567 Da
  • ChemSpider ID28285222

  • Charge - Charge

    defined stereocentres - 10 of 15 defined stereocentres

More details:

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2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-deoxy-β-D-erythro-hexopyranosyl-(1->6)-[(2ξ)-D-arabino-hexopyranosyl-(1->;3)]-(2ξ)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-6-desoxy-β-D-erythro-hexopyranosyl-(1->6)-[(2ξ)-D-arabino-hexopyranosyl-(1->3)]-(2ξ)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-érythro-hexopyranosyl-(1->6)-[(2ξ)-D-arabino-hexopyranosyl-(1->3)]-(2ξ)-β-D-xylo-hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl O-6-deoxy-β-D-erythro-hexopyranosyl-(1->6)-O-[(2ξ)-D-arabino-hexopyranosyl-(1->3)]-, (2ξ)- [ACD/Index Name]
cyanidin 3-[3''-(O-b-D-glucopyranosyl)-6''-(O-a-L-rhamnopyranosyl)-O-b-D-glucopyranoside]O-b-D-glucopyranoside]

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

Density:
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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:

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