ChemSpider 2D Image | Olitoriside | C35H52O14

Olitoriside

  • Molecular FormulaC35H52O14
  • Average mass696.779 Da
  • Monoisotopic mass696.335693 Da
  • ChemSpider ID85150
  • defined stereocentres - 17 of 17 defined stereocentres


More details:






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

(3β,5β)-3-{[2,6-Dideoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[2,6-Didesoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[2,6-Didésoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
13289-20-8 [RN]
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
Olitoriside
(1S,2S,5S,7S,10R,11S,14R,15R)-7,11-DIHYDROXY-5-{[(2R,4S,5R,6R)-4-HYDROXY-6-METHYL-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-15-METHYL-14-(5-OXO-2H-FURAN-3-YL)TETRACYCLO[8.7.0.0ì,?.0––,–?]HEPTADECANE-2-CARBALDEHYDE
(3β,5β)-3-((2,6-Dideoxy-4 O-β-D -glucopyranosyl-β-D -xylo-hexopyranosyl)oxy)-5,14-dihydroxy-1 9-oxocard-20(22)-enolide
13389-08-7 [RN]
236-304-7 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 908.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.9±6.0 kJ/mol
Flash Point: 283.0±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.57
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.57
Polar Surface Area: 222 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 474.8±5.0 cm3

Click to predict properties on the Chemicalize site






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