ChemSpider 2D Image | (3beta,9xi,14xi,17xi,20xi,25R)-3-{[6-Deoxy-beta-D-gulopyranosyl-(1->4)-[6-deoxy-beta-L-gulopyranosyl-(1->2)]-(2xi)-beta-D-ribo-hexopyranosyl]oxy}-22-hydroxyfurost-5-en-26-yl beta-D-allopyranoside | C51H84O22

(3β,9ξ,14ξ,17ξ,20ξ,25R)-3-{[6-Deoxy-β-D-gulopyranosyl-(1->4)-[6-deoxy-β-L-gulopyranosyl-(1->2)]-(2ξ)-β-D-ribo-hexopyranosyl]oxy}-22-hydroxyfurost-5-en-26-yl β-D-allopyranoside

  • Molecular FormulaC51H84O22
  • Average mass1049.199 Da
  • Monoisotopic mass1048.545410 Da
  • ChemSpider ID4911193

  • defined stereocentres - 25 of 31 defined stereocentres

More details:

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

(3β,9ξ,14ξ,17ξ,20ξ,25R)-3-{[6-Deoxy-β-D-gulopyranosyl-(1->4)-[6-deoxy-β-L-gulopyranosyl-(1->2)]-(2ξ)-β-D-ribo-hexopyranosyl]oxy}-22-hydroxyfurost-5-en-26-yl β-D-allopyranoside [ACD/IUPAC Name]
(3β,9ξ,14ξ,17ξ,20ξ,25R)-3-{[6-Desoxy-β-D-gulopyranosyl-(1->4)-[6-desoxy-β-L-gulopyranosyl-(1->2)]-(2ξ)-β-D-ribo-hexopyranosyl]oxy}-22-hydroxyfurost-5-en-26-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (3β,9ξ,14ξ,17ξ,20ξ,25R)-3-{[6-désoxy-β-D-gulopyranosyl-(1->4)-[6-désoxy-β-L-gulopyranosyl-(1->2)]-(2ξ)-β-D-ribo-hexopyranosyl]oxy}-22-hydroxyfurost-5-én-26-yl ; e [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,9ξ,14ξ,17ξ,20ξ,25R)-3-[[O-6-deoxy-β-D-gulopyranosyl-(1->4)-O-[6-deoxy-β-L-gulopyranosyl-(1->2)]-(2ξ)-β-D-ribo-hexopyranosyl]oxy]-22-hydroxyfurost-5-en-26-yl [ACD/Index Name]
Protodioscin

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: 1.632
Molar Refractivity: 254.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 98.99
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 98.99
Polar Surface Area: 346 Å2
Polarizability: 100.9±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 713.9±5.0 cm3

Click to predict properties on the Chemicalize site


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