ChemSpider 2D Image | (3beta,6alpha,12beta,20E)-3,12,23-Trihydroxy-24,25-epoxydammar-20(22)-en-6-yl beta-D-glucopyranoside | C36H60O10

(3β,6α,12β,20E)-3,12,23-Trihydroxy-24,25-epoxydammar-20(22)-en-6-yl β-D-glucopyranoside

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID57620896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 17 defined stereocentres

More details:

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

(3β,6α,12β,20E)-3,12,23-Trihydroxy-24,25-epoxydammar-20(22)-en-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,12β,20E)-3,12,23-Trihydroxy-24,25-epoxydammar-20(22)-en-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
343962-53-8 [RN]
β-D-Glucopyranoside de (3β,6α,12β,20E)-3,12,23-trihydroxy-24,25-époxydammar-20(22)-én-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,12β,20E)-24,25-epoxy-3,12,23-trihydroxydammar-20(22)-en-6-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-((E)-4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-2-en-2-yl)-3,12-dihydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
?-?D-?Glucopyranoside, (3?,?6?,?12?,?20E)?-?24,?25-?epoxy-?3,?12,?23-?trihydroxydammar-?20(22)?-?en-?6-?yl (9CI)
Notoginsenoside T1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 416.2±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.57
ACD/KOC (pH 5.5): 633.24
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.57
ACD/KOC (pH 7.4): 633.24
Polar Surface Area: 173 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 505.3±5.0 cm3

Click to predict properties on the Chemicalize site


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