ChemSpider 2D Image | anasteroside A | C62H102O32S

anasteroside A

  • Molecular FormulaC62H102O32S
  • Average mass1391.519 Da
  • Monoisotopic mass1390.607544 Da
  • ChemSpider ID16737517

  • defined stereocentres - 38 of 38 defined stereocentres

More details:

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

(3β,5α,6α)-6-{[6-Deoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)-6-deoxy-β-D-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-β-D-xylopyranosyl-(1->3)-6-deox
 y-β-D-glucopyranosyl]oxy}-23-oxocholest-9(11)-en-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,5α,6α)-6-{[6-Desoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)-6-desoxy-β-D-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->;4)]-β-D-xylopyranosyl-(1->3)-6-de
 soxy-β-D-glucopyranosyl]oxy}-23-oxocholest-9(11)-en-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
anasteroside A
Cholest-9(11)-en-23-one, 6-[[O-6-deoxy-β-D-glucopyranosyl-(1->2)-O-[O-β-D-galactopyranosyl-(1->3)-O-6-deoxy-β-D-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-O-β-D-xylopyranosyl- (1->3)-6-deoxy-β-D-glucopyranosyl]oxy]-3-(sulfooxy)-, (3β,5α,6α)- [ACD/Index Name]
Hydrogénosulfate de (3β,5α,6α)-6-{[6-désoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)-6-désoxy-β-D-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-β-D-xylop ; yranosyl-(1->3)-6-désoxy-β-D-glucopyranosyl]oxy}-23-oxocholest-9(11)-én-3-yle [French] [ACD/IUPAC Name]

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: 1.635
Molar Refractivity: 323.7±0.4 cm3
#H bond acceptors: 32
#H bond donors: 16
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 5.47
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 503 Å2
Polarizability: 128.3±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 904.3±5.0 cm3

Click to predict properties on the Chemicalize site


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