ChemSpider 2D Image | (2alpha,3beta,5xi,9xi,12beta)-3-(beta-D-Glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C47H80O18

(2α,3β,5ξ,9ξ,12β)-3-(β-D-Glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC47H80O18
  • Average mass933.127 Da
  • Monoisotopic mass932.534485 Da
  • ChemSpider ID90615806

  • defined stereocentres - 23 of 25 defined stereocentres

More details:

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

(2α,3β,5ξ,9ξ,12β)-3-(β-D-Glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2α,3β,5ξ,9ξ,12β)-3-(β-D-Glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (2α,3β,5ξ,9ξ,12β)-3-(β-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2α,3β,5ξ,9ξ,12β)-3-(β-D-glucopyranosyloxy)-2,12-dihydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(2R,3R,8R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
105239-70-1 [RN]
Gypenoside LVII

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1008.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.7±6.0 kJ/mol
Flash Point: 563.7±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 233.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.57
ACD/KOC (pH 5.5): 248.24
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.57
ACD/KOC (pH 7.4): 248.24
Polar Surface Area: 298 Å2
Polarizability: 92.6±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 669.8±5.0 cm3

Click to predict properties on the Chemicalize site


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