ChemSpider 2D Image | fischeroside B | C35H44O15

fischeroside B

  • Molecular FormulaC35H44O15
  • Average mass704.715 Da
  • Monoisotopic mass704.268005 Da
  • ChemSpider ID26609246

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-1,1,6,8-tetramethyl-5-oxo-3-({[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[ 1,2-e]azulen-9a-yl acetate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-1,1,6,8-tetramethyl-5-oxo-3-({[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[ 1,2-e]azulen-9a-yl-acetat [German] [ACD/IUPAC Name]
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9a-(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-3-[[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]methyl]-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)- [ACD/Index Name]
Acétate de (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-1,1,6,8-tétraméthyl-5-oxo-3-({[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}méthyl)-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa [3,4]benzo[1,2-e]azulén-9a-yle [French] [ACD/IUPAC Name]
fischeroside B
Prostratin 20-O-(6'-galloyl)-β-D-glucopyranoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 916.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 286.7±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.39
ACD/KOC (pH 5.5): 1103.61
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 86.26
ACD/KOC (pH 7.4): 759.26
Polar Surface Area: 250 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 87.5±5.0 dyne/cm
Molar Volume: 451.4±5.0 cm3

Click to predict properties on the Chemicalize site


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