ChemSpider 2D Image | litseaefoloside C | C30H30O14

litseaefoloside C

  • Molecular FormulaC30H30O14
  • Average mass614.551 Da
  • Monoisotopic mass614.163574 Da
  • ChemSpider ID9702134

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxybenzyl 4-hydroxy-3-methoxybenzoate [ACD/IUPAC Name]
4-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxybenzyl-4-hydroxy-3-methoxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxy-3-méthoxybenzoate de 4-({6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxybenzyle [French] [ACD/IUPAC Name]
871018-29-0 [RN]
Benzoic acid, 4-hydroxy-3-methoxy-, [4-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-3-hydroxyphenyl]methyl ester [ACD/Index Name]
β-D-Glucopyranoside, 2-hydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]phenyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
litseaefoloside C
[4-[(2S,3R,4S,5S,6R)-6-[[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyphenyl]methyl4-hydroxy-3-methoxybenzoate
3-hydroxy-4-O-β-D-(6-O-caffeoylglucopyranosyl)benzyl vanilloate
4-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)-3-hydroxybenzyl 4-hydroxy-3-methoxybenzoate
  • Miscellaneous

    • Chemical Class:

      An <element>O</element>-acyl carbohydrate consisting of glucose attached to 2-hydroxy-4-vanilloyloxymethylphenyl and <stereo>trans</stereo>-caffeoyl group at positions 1 and 6 respectively. Isolated f rom stems of <ital>Ilex latifolia</ital>, it exhibits inhibitory activity against <stereo>alpha</stereo>-glucosidase and lipase. ChEBI CHEBI:66582
      An O-acyl carbohydrate consisting of glucose attached to 2-hydroxy-4-vanilloyloxymethylphenyl and trans-caffeoyl group at positions 1 and 6 respectively. Isolated f; rom stems of Ilex latifolia, it ex hibits inhibitory activity against alpha-glucosidase and lipase. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66582
      An O-acyl carbohydrate consisting of glucose attached to 2-hydroxy-4-vanilloyloxymethylphenyl and trans-caffeoyl group at positions 1 and 6 respectively. Isolated from stems of Ilex latifolia, it exhi bits inhibitory activity against alpha-glucosidase and lipase. ChEBI CHEBI:66582

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

Density: 1.5±0.1 g/cm3
Boiling Point: 915.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 298.5±27.8 °C
Index of Refraction: 1.688
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.87
ACD/KOC (pH 5.5): 191.86
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 8.72
ACD/KOC (pH 7.4): 153.84
Polar Surface Area: 222 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 400.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement