ChemSpider 2D Image | 3-beta-D-glucosylstigmasterol | C35H58O6

3-β-D-glucosylstigmasterol

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID5034827
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,22E)-Stigmasta-5,22-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22E)-Stigmasta-5,22-dien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-β-D-glucosylstigmasterol
stigmasterol 3-O-β-D-glucoside
β-D-Glucopyranoside de (3β,22E)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,22E)-stigmasta-5,22-dien-3-yl [ACD/Index Name]
[19716-26-8]
19716-26-8 [RN]
3-?-D-glucosylstigmasterol
MFCD20274842
More...

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

AIDS398412 [DBID]
AIDS-398412 [DBID]
  • Miscellaneous
    • Chemical Class:

      A steroid saponin that is (3<stereo>beta</stereo>,22<stereo>E</stereo>)-stigmasta-5,22-dien-3-ol attached to a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 3 via a glyc osidic linkage. It is isolated from <ital>Symplocos lancifolia</ital>. ChEBI CHEBI:68383
    • Compound Source:

      Cupania vernalis (Sapindaceae) Susan Richardson [Structure for Stigmasterol found in ChemSpider, confirmed from The Merck Index Online. Added glucose.]
      Isolated from a plant Susan Richardson [Structure for Stigmasterol found in ChemSpider, confirmed from The Merck Index Online. Added glucose.]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85574.05
ACD/KOC (pH 5.5): 118072.90
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85573.48
ACD/KOC (pH 7.4): 118072.13
Polar Surface Area: 99 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 502.0±5.0 cm3

Click to predict properties on the Chemicalize site






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