ChemSpider 2D Image | (3beta)-3-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C48H78O18

(3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID411044

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
177794-61-5 [RN]
Olean-12-en-28-oic acid, 3-((O-β-D-glucopyranosyl-(1-6)-O-β-D-glucopyranosyl-(1-4)-6-deoxy-α-L-mannopyranosyl)oxy)-23-hydroxy-, (3β,4α)-
Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1.fwdarw.6)-O-β-D-glucopyranosyl-(1.fwdarw.4)-6-deoxy-α-L-mannopyranosyl)oxy]-23-hydroxy-, (3β,4α)-
OLEAN-12-EN-28-OICACID,3-[(O-SS-D-GLUCOPYRANOSYL-(1.FWDARW.6)-O-SS-D-GLUCOPYRANOSYL-(1.FWDARW.4)-6-DEOXY-A-L-MANNOPYRANOSYL)OXY]-23-HYDROXY-,(3SS,4A)-
Transsylvanoside-C
Triterpenoid Glycoside

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

AIDS057187 [DBID]
AIDS-057187 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1026.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.9±6.0 kJ/mol
Flash Point: 292.0±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 234.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 26.45
ACD/KOC (pH 5.5): 198.02
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.12
Polar Surface Area: 295 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 665.7±5.0 cm3

Click to predict properties on the Chemicalize site


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