Found 1 result

Search term: C49H58O29 (Found by molecular formula)
ChemSpider 2D Image | 7-{[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-beta-D-g lucopyranoside | C49H58O29

7-{[4-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-g lucopyranoside

  • Molecular FormulaC49H58O29
  • Average mass1110.967 Da
  • Monoisotopic mass1110.306396 Da
  • ChemSpider ID103885282

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 20 of 20 defined stereocentres

More details:

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

220342-44-9 [RN]
2-O-{2-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-glucopyranoside de 7-{[4-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl)-4-ox
 o-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-
4H-1-Benzopyran-4-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyran
 osyl]oxy]-2-(4-hydroxyphenyl)- [ACD/Index Name]
7-{[4-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-g
 lucopyranoside [ACD/IUPAC Name]
7-{[4-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-g
 lucopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1366.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 216.5±3.0 kJ/mol
Flash Point: 390.8±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 252.4±0.4 cm3
#H bond acceptors: 29
#H bond donors: 16
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 459 Å2
Polarizability: 100.0±0.5 10-24cm3
Surface Tension: 121.5±5.0 dyne/cm
Molar Volume: 623.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement