ChemSpider 2D Image | Macranthoside B | C53H86O22

Macranthoside B

  • Molecular FormulaC53H86O22
  • Average mass1075.237 Da
  • Monoisotopic mass1074.561035 Da
  • ChemSpider ID9868482

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
146100-02-9 [RN]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Macranthoside B
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, (3β,4α)-

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

Density: 1.5±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 262.3±0.0 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 4
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 1887.10
ACD/KOC (pH 5.5): 4201.04
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 29.72
ACD/KOC (pH 7.4): 66.16
Polar Surface Area: 354 Å2
Polarizability: 104.0±0.0 10-24cm3
Surface Tension: 79.2±0.0 dyne/cm
Molar Volume: 734.8±0.0 cm3

Click to predict properties on the Chemicalize site


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