ChemSpider 2D Image | (3beta,13xi,16beta,17xi)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)]-6-deoxy-beta-D-galactopyranoside | C54H88O23

(3β,13ξ,16β,17ξ)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC54H88O23
  • Average mass1105.263 Da
  • Monoisotopic mass1104.571655 Da
  • ChemSpider ID165725

  • defined stereocentres - 29 of 31 defined stereocentres

More details:

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

(3β,13ξ,16β,17ξ)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,13ξ,16β,17ξ)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,13ξ,16β,17ξ)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-β-D-glucopyranosyl-(1->2)-O-[O-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-6-deoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)]-6-désoxy-β-D-galactopyranoside de (3β,13ξ,16β,17ξ)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
155762-41-7 [RN]
3-O-((β-D-Glucopyranosyl-(1-4)-β-D-glucopyranosyl-(1-3))-(β-D-glucopyranosyl-(1-2))-β-D-fucopyranosyl)-13β,28-epoxyolea-11-ene-3β,16β,23-triol
Clinopodiside B
Songarosaponin D
β-D-Galactopyranoside, (3-β,4α,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-β-D-glucopyranosyl-(1-2)-O-(O-β-D-glucopyranosyl-(1-4)-β-D-glucopyranosyl-(1-3))-6-deoxy-

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: 1.645
Molar Refractivity: 268.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 44.03
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 44.03
Polar Surface Area: 366 Å2
Polarizability: 106.3±0.5 10-24cm3
Surface Tension: 82.6±5.0 dyne/cm
Molar Volume: 739.9±5.0 cm3

Click to predict properties on the Chemicalize site


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