ChemSpider 2D Image | dendronobiloside A | C27H48O12

dendronobiloside A

  • Molecular FormulaC27H48O12
  • Average mass564.663 Da
  • Monoisotopic mass564.314575 Da
  • ChemSpider ID8206370

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

{(1S,3aR,4R,5R,7aS)-1-[(β-D-Glucopyranosyloxy)methyl]-5-isopropyl-7a-methyloctahydro-1H-inden-4-yl}methyl β-D-glucopyranoside [ACD/IUPAC Name]
{(1S,3aR,4R,5R,7aS)-1-[(β-D-Glucopyranosyloxy)methyl]-5-isopropyl-7a-methyloctahydro-1H-inden-4-yl}methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
dendronobiloside A
β-D-Glucopyranoside de {(1S,3aR,4R,5R,7aS)-1-[(β-D-glucopyranosyloxy)méthyl]-5-isopropyl-7a-méthyloctahydro-1H-indén-4-yl}méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [(1S,3aR,4R,5R,7aS)-1-[(β-D-glucopyranosyloxy)methyl]octahydro-7a-methyl-5-(1-methylethyl)-1H-inden-4-yl]methyl [ACD/Index Name]
[(1S,3aR,4R,5R,7aS)-1-[(β-D-glucopyranosyloxy)methyl]-7a-methyl-5-(propan-2-yl)octahydro-1H-inden-4-yl]methyl β-D-glucopyranoside
10,12-dihydroxypicrotoxane 10,12-di-O-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.50
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.50
Polar Surface Area: 199 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

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