ChemSpider 2D Image | (3beta,16beta,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 5-O-(carboxyacetyl)-alpha-L-arabinofuranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside | C49H76O20

(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 5-O-(carboxyacetyl)-α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranoside

  • Molecular FormulaC49H76O20
  • Average mass985.116 Da
  • Monoisotopic mass984.492981 Da
  • ChemSpider ID8828892

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 5-O-(carboxyacetyl)-α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,16β,23R)-20-Hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl-5-O-(carboxyacetyl)-α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
5-O-(2-Carboxyacétyl)-α-L-arabinofuranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranoside de (3β,16β,23R)-20-hydroxy-16,23:16,30-diépoxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-5-O-(2-carboxyacetyl)-α-L-arabinofuranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
Jujubogenin 3-O-(5-O-malonyl)-α-L-arabinofuranosyl (1->;2)-[β-D-glucopyranosyl(1->3)]-α-L-arabinopyranoside

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: 1.619
Molar Refractivity: 239.6±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 6.98
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 95.0±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 682.7±5.0 cm3

Click to predict properties on the Chemicalize site


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