β-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-β-D -glucopyranuronosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose

Molecular FormulaC₆₃H₉₈O₃₃
Average mass Da
Monoisotopic mass Da
ChemSpider ID71044123

- 34 of 36 defined stereocentres

More details:

Names and Synonyms

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

α-L-Arabinopyranose, O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-[(3-O- β-D-glucopyranosyl-β-D-glucopyranuronosyl)oxy]-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]

β-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-β-D -glucopyranuronosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]

β-D-Xylopyranosyl-(1->4)-6-desoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-β- D-glucopyranuronosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]

β-D-Xylopyranosyl-(1->4)-6-désoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-β- D-glucopyranuronosyl]oxy}-2,23-dihydroxy-23,28-dioxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

β-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-{[3-O-(β-D-glucopyranosyl)-β-D -glucopyranuronosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose

More details:

Search ChemSpider:

Search Google: