ChemSpider 2D Image | Hellebrigenin glucoside | C30H42O11

Hellebrigenin glucoside

  • Molecular FormulaC30H42O11
  • Average mass578.648 Da
  • Monoisotopic mass578.272705 Da
  • ChemSpider ID2317239

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β)-3-(β-D-Glucopyranosyloxy)-5,14-dihydroxy-19-oxobufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β)-3-(β-D-Glucopyranosyloxy)-5,14-dihydroxy-19-oxobufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β)-3-(β-D-Glucopyranosyloxy)-5,14-dihydroxy-19-oxobufa-20,22-diénolide [French] [ACD/IUPAC Name]
72947-90-1 [RN]
Bufa-20,22-dienolide, 3-(β-D-glucopyranosyloxy)-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
Hellebrigenin glucoside
Hellebrigenin-3-O-??-glucoside
Hellebrigenin-D-glucose
100991-82-0 [RN]
101053-42-3 [RN]
More...

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

BRN 0073262 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 260.7±27.8 °C
Index of Refraction: 1.643
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.79
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.79
Polar Surface Area: 183 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement