ChemSpider 2D Image | Arvensoside A | C48H78O18

Arvensoside A

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID390479

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

110219-89-1 [RN]
1-O-[(3β)-3-{[3-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-{[3-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-{[3-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Arvensoside A
β-D-Glucopyranosyl (3β)-3-[(3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oate
β-D-Glucopyranose, 1-O-[(3β)-3-[(3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
OLEAN-12-EN-28-OICACID, 3-[(3-O-B-D-GALACTOPYRANOSYL-B-D-GLUCOPYRANOSYL)OXY]-, B-D-GLUCOPYRANOSYL ESTER, (3B)-

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

C08923 [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: 1002.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.8±6.0 kJ/mol
Flash Point: 284.3±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: 4
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1165.02
ACD/KOC (pH 5.5): 5447.56
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1165.01
ACD/KOC (pH 7.4): 5447.52
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

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