ChemSpider 2D Image | Astragaloside III | C41H68O14

Astragaloside III

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID390480
  • 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)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6α,9β,16β,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-O-β-D-glucopyranosyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-xylopyranoside de (3β,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
84687-42-3 [RN]
Astragaloside III
β-D-Xylopyranoside, (3β,6α,9β,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4,7-dihydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethylhexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4,7-dihydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyltetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(3b,6a,9b,16b,20R,24S)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-b-D-glucopyranosyl-b-D-xylopyranoside
(3β,6α,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

WVP53009FC [DBID]
C08924 [DBID]
UNII:WVP53009FC [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 906.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.7±6.0 kJ/mol
Flash Point: 502.2±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: 1.40
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 83.74
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 83.74
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

Click to predict properties on the Chemicalize site






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