ChemSpider 2D Image | sitoindoside IX | C34H48O11

sitoindoside IX

  • Molecular FormulaC34H48O11
  • Average mass632.738 Da
  • Monoisotopic mass632.319641 Da
  • ChemSpider ID164705

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(4β,5β,6β,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(4β,5β,6β,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
118853-45-5 [RN]
Ergosta-2,24-diene-1,26-dione, 5,6:22,26-diepoxy-27-(β-D-glucopyranosyloxy)-4-hydroxy-, (4β,5β,6β,22R)- [ACD/Index Name]
sitoindoside IX
β-D-Glucopyranoside de (4β,5β,6β,22R)-4-hydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-dién-27-yle [French] [ACD/IUPAC Name]
27-O-β-D-glucopyranosylwithaferin A
  • Miscellaneous

    • Chemical Class:

      A withanolide saponin that consists of withaferin A attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from <ital>Physalis longifolia</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:69119
      A withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis longifolia, it exhibits antineoplastic activity. ChEBI CHEBI:69119
      A withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis; longifolia, it exhibits antineoplasti c activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69119

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

Density: 1.4±0.1 g/cm3
Boiling Point: 842.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.2±6.0 kJ/mol
Flash Point: 266.4±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 94.50
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.04
ACD/KOC (pH 7.4): 94.50
Polar Surface Area: 176 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement