ChemSpider 2D Image | SERICOSIDE | C36H58O11

SERICOSIDE

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID10273121

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

1-O-[(2α,3β,19α)-2,3,19,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,19α)-2,3,19,23-Tetrahydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,19α)-2,3,19,23-Tétrahydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
62319-70-4 [RN]
arjunglucoside I
Dotorioside I
SERICOSIDE
β-D-Glucopyranose, 1-O-[(2α,3β,19α)-2,3,19,23-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
β-D-glucopyranosyl (2α,3β,4β,19α)-2,3,19,23-tetrahydroxyolean-12-en-28-oate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
More...
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in ChemSpider, confirmed from ChEMBL and ACD/Dictionary]
      Rudgea virbunioides (Rubiaceae) Susan Richardson [Structure found in ChemSpider, confirmed from ChEMBL and ACD/Dictionary]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 234.7±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.96
ACD/KOC (pH 5.5): 1954.38
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.96
ACD/KOC (pH 7.4): 1954.35
Polar Surface Area: 197 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 491.8±5.0 cm3

Click to predict properties on the Chemicalize site


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