ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C32H38O15

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID4476008

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
39012-04-9 [RN]
4H-1-Benzopyran-4-one, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
β-D-Glucopyranoside de 3-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
[39012-04-9] [RN]
5-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Epimedoside A
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 971.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.3±3.0 kJ/mol
Flash Point: 310.9±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.24
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 245 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement