ChemSpider 2D Image | Dotorioside II | C36H58O11

Dotorioside II

  • Molecular FormulaC36H58O11
  • Average mass666.839 Da
  • Monoisotopic mass666.397888 Da
  • ChemSpider ID17276170

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside
1-O-[(2α,3β)-2,3,19,23-Tetrahydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19,23-Tetrahydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19,23-Tétrahydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
95262-48-9 [RN]
Dotorioside II
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3,19,23-tetrahydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
nigaichigoside F1
Niga-ichigoside F1
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  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is 19<stereo>alpha</stereo>-hydroxyasiatic acid attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the leaves of <ital>Rosa laevigata</ital>. ChEBI CHEBI:67917
      A triterpenoid saponin that is 19alpha-hydroxyasiatic acid attached to a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It ; has been isolated from the leaves of Rosa laeviga ta. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67917
      A triterpenoid saponin that is 19alpha-hydroxyasiatic acid attached to a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the leaves of Rosa laevigata . ChEBI CHEBI:67917

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): 3.50
ACD/BCF (pH 5.5): 270.06
ACD/KOC (pH 5.5): 1914.45
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.06
ACD/KOC (pH 7.4): 1914.43
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

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