ChemSpider 2D Image | (3beta,17xi,22R,25S)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl alpha-L-arabinofuranosyl-(1->4)-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-glucopyranoside | C50H82O22

(3β,17ξ,22R,25S)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl α-L-arabinofuranosyl-(1->4)-[6-deoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranoside

  • Molecular FormulaC50H82O22
  • Average mass1035.173 Da
  • Monoisotopic mass1034.529785 Da
  • ChemSpider ID127384561

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

(3β,17ξ,22R,25S)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl α-L-arabinofuranosyl-(1->4)-[6-deoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,17ξ,22R,25S)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl-α-L-arabinofuranosyl-(1->4)-[6-desoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
α-L-Arabinofuranosyl-(1->4)-[6-désoxy-α-L-mannopyranosyl-(1->2)]-β-D-glucopyranoside de (3β,17ξ,22R,25S)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,17ξ,22β,25S)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-α-L-arabinofuranosyl-(1->4)-O-[6-deoxy-α-L-mannopyranosyl-(1->2)]- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Parisaponin I

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 249.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 96.20
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.19
Polar Surface Area: 346 Å2
Polarizability: 99.1±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 697.4±5.0 cm3

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