ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,12alpha,13alpha,14beta,17alpha,20R)-20-{[6-O-(alpha-D-Arabinofuranosyl)-beta-L-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl beta-L-glucopyranoside | C47H80O17

(3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-{[6-O-(α-D-Arabinofuranosyl)-β-L-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl β-L-glucopyranoside

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID68894830
  • defined stereocentres - 24 of 24 defined stereocentres


More details:






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

(3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-{[6-O-(α-D-Arabinofuranosyl)-β-L-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-{[6-O-(α-D-Arabinofuranosyl)-β-L-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-{[6-O-(α-D-arabinofuranosyl)-β-L-glucopyranosyl]oxy}-12-hydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-[(6-O-α-D-arabinofuranosyl-β-L-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 994.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.3±6.0 kJ/mol
Flash Point: 555.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 232.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.76
ACD/KOC (pH 5.5): 1062.64
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.76
ACD/KOC (pH 7.4): 1062.64
Polar Surface Area: 278 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 672.1±5.0 cm3

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