ChemSpider 2D Image | TEUPOLIOSIDE | C35H46O20

TEUPOLIOSIDE

  • Molecular FormulaC35H46O20
  • Average mass786.728 Da
  • Monoisotopic mass786.258240 Da
  • ChemSpider ID17221718

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

143617-02-1 [RN]
2-(3,4-Dihydroxyphenyl)ethyl β-D-galactopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-β-D-galactopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
TEUPOLIOSIDE
β-D-Galactopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-β-D-galactopyranosyl-(1->2)-O-6-deoxy-α-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-b-D-galactopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]

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

88458S9198 [DBID]
UNII:88458S9198 [DBID]
UNII-88458S9198 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1065.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.6±3.0 kJ/mol
Flash Point: 328.8±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 182.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.15
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.09
Polar Surface Area: 324 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 105.3±5.0 dyne/cm
Molar Volume: 472.1±5.0 cm3

Click to predict properties on the Chemicalize site


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