ChemSpider 2D Image | 7-{[(4xi)-6-Deoxy-alpha-L-lyxo-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl (4xi)-6-deoxy-2-O-[(3xi)-4-C-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-beta-D-er ythro-pentopyranosyl]-alpha-L-lyxo-hexopyranoside | C42H46O23

7-{[(4ξ)-6-Deoxy-α-L-lyxo-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl (4ξ)-6-deoxy-2-O-[(3ξ)-4-C-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-β-D-er ythro-pentopyranosyl]-α-L-lyxo-hexopyranoside

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID28284182

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 14 defined stereocentres

More details:

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(4ξ)-6-Désoxy-2-O-[(3ξ)-4-C-({[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}méthyl)-β-D-érythro-pentopyranosyl]-α-L-lyxo-hexopyranoside de 7-{[(4ξ)-6-désoxy-α-L-lyxo-hexopyranosyl]oxy}-2 ; -(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-{[(4ξ)-6-Deoxy-α-L-lyxo-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl (4ξ)-6-deoxy-2-O-[(3ξ)-4-C-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-β-D-er ythro-pentopyranosyl]-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
7-{[(4ξ)-6-Desoxy-α-L-lyxo-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl-(4ξ)-6-desoxy-2-O-[(3ξ)-4-C-({[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}methyl)-β-D- erythro-pentopyranosyl]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
α-L-lyxo-Hexopyranoside, 7-[[(4ξ)-6-deoxy-α-L-lyxo-hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-2-O-[(3ξ)-4-C-[[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo -2-propen-1-yl]oxy]methyl]-β-D-erythro-pentopyranosyl]-, (4ξ)- [ACD/Index Name]
sarmenoside III

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1209.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 188.1±3.0 kJ/mol
Flash Point: 362.1±27.8 °C
Index of Refraction: 1.757
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.03
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 120.5±5.0 dyne/cm
Molar Volume: 517.4±5.0 cm3

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