ChemSpider 2D Image | sinapoyl-isovitexin 2''-O-arabinoside | C37H38O18

sinapoyl-isovitexin 2''-O-arabinoside

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID29368539

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-α-L-arabinopyranosyl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-α-L-arabinopyranosyl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]-2-O-{4-O-[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-α-L-arabinopyranosyl}-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-2-O-[4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-α-L-arabinopyranosyl]-, (1S)- [ACD/Index Name]
sinapoyl-isovitexin 2''-O-arabinoside
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-α-L-arabinopyranosyl}-D-glucitol
  • Miscellaneous

    • Chemical Class:

      A disaccharide derivative that is isovitexin attached to a 4-<element>O</element>-[(2<stereo>E</stereo>)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-<stereo>alpha</stereo>-<stereo>L</stereo>-arabin opyranosyl residue at position 2 via a glycosidic linkage. ChEBI CHEBI:75386
      A disaccharide derivative that is isovitexin attached to a 4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-alpha-L-arabin; opyranosyl residue at position 2 via a glycosidic linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75386
      A disaccharide derivative that is isovitexin attached to a 4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-alpha-L-arabinopyranosyl residue at position 2 via a glycosidic linkage. ChEBI CHEBI:75386

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1058.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.4±3.0 kJ/mol
Flash Point: 329.2±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 183.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 86.38
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 281 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 458.9±5.0 cm3

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