ChemSpider 2D Image | (3beta,5beta,9xi,14xi)-Spirost-25(27)-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranoside | C44H70O17

(3β,5β,9ξ,14ξ)-Spirost-25(27)-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranoside

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID114928678

  • defined stereocentres - 23 of 25 defined stereocentres

More details:

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

(3β,5β,9ξ,14ξ)-Spirost-25(27)-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,9ξ,14ξ)-Spirost-25(27)-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5β,9ξ,14ξ)-spirost-25(27)-en-3-yl O-β-D-glucopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->3)]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranoside de (3β,5β,9ξ,14ξ)-spirost-25(27)-én-3-yle [French] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(1R,4S,6R,7S,8R,9S,13S,16S,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
167221-10-5 [RN]
Schidigerasaponin A1

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 214.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.62
ACD/KOC (pH 5.5): 875.64
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.62
ACD/KOC (pH 7.4): 875.64
Polar Surface Area: 256 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 606.4±5.0 cm3

Click to predict properties on the Chemicalize site


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