ChemSpider 2D Image | brassinolide 23-O-alpha-D-glucoside | C34H58O11

brassinolide 23-O-α-D-glucoside

  • Molecular FormulaC34H58O11
  • Average mass642.818 Da
  • Monoisotopic mass642.397888 Da
  • ChemSpider ID58827468

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4R,5S)-2-[(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-5,6-Dihydroxy-7a,9a-dimethyl-3-oxohexadecahydro-1H-benzo[c]indeno[5,4-e]oxepin-10-yl]-3-hydroxy-5,6-dimethyl-4-heptanyl α-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4R,5S)-2-[(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-5,6-Dihydroxy-7a,9a-dimethyl-3-oxohexadecahydro-1H-benzo[c]indeno[5,4-e]oxepin-10-yl]-3-hydroxy-5,6-dimethyl-4-heptanyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
3H-Benz[c]indeno[5,4-e]oxepin-3-one, 10-[(1S,2R,3R,4S)-3-(α-D-glucopyranosyloxy)-2-hydroxy-1,4,5-trimethylhexyl]hexadecahydro-5,6-dihydroxy-7a,9a-dimethyl-, (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)- [ACD/Index Name]
brassinolide 23-O-α-D-glucoside
α-D-Glucopyranoside de (2S,3R,4R,5S)-2-[(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-5,6-dihydroxy-7a,9a-diméthyl-3-oxohexadécahydro-1H-benzo[c]indéno[5,4-e]oxépin-10-yl]-3-hydroxy-5,6-diméthyl-4-heptany le [French] [ACD/IUPAC Name]
(2S,3R,4R,5S)-2-[(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-5,6-dihydroxy-7a,9a-dimethyl-3-oxohexadecahydro-1H-benzo[c]indeno[5,4-e]oxepin-10-yl]-3-hydroxy-5,6-dimethylheptan-4-yl α-D-glucopyranoside
brassinolide 23-O-glucoside
brassinolide 23-O-α-glucoside
brassinolide-23-O-glucoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 801.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 246.4±27.8 °C
Index of Refraction: 1.579
Molar Refractivity: 165.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.06
ACD/KOC (pH 5.5): 141.01
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.06
ACD/KOC (pH 7.4): 141.01
Polar Surface Area: 186 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 496.1±5.0 cm3

Click to predict properties on the Chemicalize site


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