ChemSpider 2D Image | Astragaloside IV | C41H68O14

Astragaloside IV

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID10259289

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
84687-43-4 [RN]
Astragaloside IV
MFCD16036240 [MDL number]
β-D-Glucopyranoside de (3β,6α,9β,16β,20R,24S)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-époxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,9β,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(3β,6α,16β,20R,24S)-20,24-Epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl β-D-glucopyranoside
[83207-58-3] [RN]
More...

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

1J6XA9YCFV [DBID]
UNII:1J6XA9YCFV [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is cycloastragenol having <locant>beta</locant>-<stereo>D</stereo>-xylopyranosyl and <locant>beta</locant>-<stereo>D</stereo>-glucopyranosyl residues attached at posit ions O-3 and O-6 respectively. It is isolated from <ital>Astragalus membranaceus</ital> var <ital>mongholicus</ital>. ChEBI CHEBI:65457
      A pentacyclic triterpenoid that is cycloastragenol having beta-D-xylopyranosyl and beta-D-glucopyranosyl residues attached at posit; ions O-3 and O-6 respectively. It is isolated from Astragalus memb ranaceus var mongholicus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65457
      A pentacyclic triterpenoid that is cycloastragenol having beta-D-xylopyranosyl and beta-D-glucopyranosyl residues attached at positions O-3 and O-6 respectively. It is isolated from Astragalus membra naceus var mongholicus. ChEBI CHEBI:65457

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

Density: 1.4±0.1 g/cm3
Boiling Point: 895.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.8±6.0 kJ/mol
Flash Point: 495.5±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 121.57
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 121.57
Polar Surface Area: 228 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 562.6±5.0 cm3

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