ChemSpider 2D Image | (3beta,5xi,18alpha)-3-{[alpha-D-Glucopyranosyl-(1->2)-[alpha-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C47H76O18

(3β,5ξ,18α)-3-{[α-D-Glucopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID58191126

  • defined stereocentres - 21 of 23 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-{[α-D-Glucopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,18α)-3-{[α-D-Glucopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-3-{[α-D-glucopyranosyl-(1->2)-[α-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-α-D-glucopyranosyl-(1->2)-O-[α-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β,5ξ,18α)- [ACD/Index Name]
149475-29-6 [RN]
Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
symphytoxide A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1024.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.4±6.0 kJ/mol
Flash Point: 293.1±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 230.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 62.69
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 649.1±5.0 cm3

Click to predict properties on the Chemicalize site


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