ChemSpider 2D Image | 5-Hydroxy-7-{[6-O-(4-{[6-O-(4-hydroxybenzoyl)-beta-D-threo-hexopyranosyl]oxy}benzoyl)-beta-D-threo-hexopyranosyl]oxy}-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-alpha-L-erythro-hexopyranos yl)-beta-D-erythro-hexopyranoside | C53H59O30

5-Hydroxy-7-{[6-O-(4-{[6-O-(4-hydroxybenzoyl)-β-D-threo-hexopyranosyl]oxy}benzoyl)-β-D-threo-hexopyranosyl]oxy}-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-α-L-erythro-hexopyranos yl)-β-D-erythro-hexopyranoside

  • Molecular FormulaC53H59O30
  • Average mass1176.017 Da
  • Monoisotopic mass1175.308594 Da
  • ChemSpider ID24842354

  • Charge - Charge

    defined stereocentres - 12 of 20 defined stereocentres

More details:

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

5-Hydroxy-7-{[6-O-(4-{[6-O-(4-hydroxybenzoyl)-β-D-threo-hexopyranosyl]oxy}benzoyl)-β-D-threo-hexopyranosyl]oxy}-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 6-O-(6-deoxy-α-L-erythro-hexopyranos yl)-β-D-erythro-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-7-{[6-O-(4-{[6-O-(4-hydroxybenzoyl)-β-D-threo-hexopyranosyl]oxy}benzoyl)-β-D-threo-hexopyranosyl]oxy}-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl-6-O-(6-desoxy-α-L-erythro-hexopyrano syl)-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-β-D-érythro-hexopyranoside de 5-hydroxy-7-{[6-O-(4-{[6-O-(4-hydroxybenzoyl)-β-D-thréo-hexopyranosyl]oxy}benzoyl)-β-D-thréo-hexopyranosyl]oxy}-2-(3
 ,4,5-trihydroxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranoside, 5-hydroxy-7-[[6-O-[4-[[6-O-(4-hydroxybenzoyl)-β-D-threo-hexopyranosyl]oxy]benzoyl]-β-D-threo-hexopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl 6-O -(6-deoxy-α-L-erythro-hexopyranosyl)- [ACD/Index Name]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 30
#H bond donors: 17
#Freely Rotating Bonds: 18
#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: 483 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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