ChemSpider 2D Image | JujubosideB | C52H84O21

JujubosideB

  • Molecular FormulaC52H84O21
  • Average mass1045.211 Da
  • Monoisotopic mass1044.550537 Da
  • ChemSpider ID23089593

  • defined stereocentres - 26 of 29 defined stereocentres

More details:

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

(1S,4S,7R,9S,13R,17S,18S,20R)-18-Hydroxy-4,8,8,12,18-pentamethyl-20-(2-methyl-1-propen-1-yl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricos-9-yl 6-deoxy-β-D-gulopyranosyl-(1->2) ;-[β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)]-β-D-ribopyranoside [ACD/IUPAC Name]
(1S,4S,7R,9S,13R,17S,18S,20R)-18-Hydroxy-4,8,8,12,18-pentamethyl-20-(2-methyl-1-propen-1-yl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricos-9-yl-6-desoxy-β-D-gulopyranosyl-(1->2 ;)-[β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->;3)]-β-D-ribopyranosid [German] [ACD/IUPAC Name]
(1S,4S,7R,9S,13R,17S,18S,20R)-18-Hydroxy-4,8,8,12,18-pentamethyl-20-(2-methylprop-1-en-1-yl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricos-9-yl 6-deoxy-β-D-gulopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)]-β-D-ribopyranoside
(2S,4bR,6bS,7S,9R,11aS,12bS,14aR)-7-hydroxy-1,1,4a,7,12b-pentamethyl-9-(2-methylprop-1-en-1-yl)octadecahydro-1H-9,11a-epoxynaphtho[2',1':4,5]indeno[2,1-c]oxepin-2(11H)-yl 6-deoxy-β-D-gulopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)]-β-D-ribopyranoside
6-Désoxy-β-D-gulopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)]-β-D-ribopyranoside de (1S,4S,7R,9S,13R,17S,18S,20R)-18-hydroxy-4,8,8,12,18-pentaméthyl-20-(2-méthyl-1 -propén-1-yl)-21,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricos-9-yle [French] [ACD/IUPAC Name]
JujubosideB
β-D-Ribopyranoside, (2S,4bR,6bS,7S,9R,11aS,12bS,14aR)-octadecahydro-7-hydroxy-1,1,4a,7,12b-pentamethyl-9-(2-methyl-1-propen-1-yl)-11H-9,11a-epoxy-1H-naphth[2',1':4,5]indeno[2,1-c]oxepin-2-yl O-6-de oxy-β-D-gulopyranosyl-(1->2)-O-[O-β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
β-D-ribopyranoside, (2S,4bR,6bS,7S,9R,11aS,12bS,14aR)-octadecahydro-7-hydroxy-1,1,4a,7,12b-pentamethyl-9-(2-methyl-1-propen-1-yl)-11H-9,11a-epoxy-1H-naphth[2',1':4,5]indeno[2,1-c]oxepin-2-yl O-6-deoxy-β-D-gulopyranosyl-(1->2)-O-[O-β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)]-
55466-05-2 [RN]
PUBCHEM_45358134

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: 1.628
Molar Refractivity: 255.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2976.71
ACD/KOC (pH 5.5): 10661.50
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2976.70
ACD/KOC (pH 7.4): 10661.46
Polar Surface Area: 315 Å2
Polarizability: 101.5±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 721.5±5.0 cm3

Click to predict properties on the Chemicalize site


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