ChemSpider 2D Image | ACUTOSIDE A | C42H68O13

ACUTOSIDE A

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID10241637

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
58231-99-5 [RN]
Acide (3β)-3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
ACUTOSIDE A
Hederoside E2
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (3β)- [ACD/Index Name]
Oleanolic acid 3-sophoroside
Oleanolic acid 3-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside
Oleanolic acid-3-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is oleanolic acid substituted by a 2-<element>O</element>-<locant>beta</locant>-<stereo>D</stereo>-glucopyranosyl-<locant>beta</locant>-<stereo>D</stereo>-glucopyranosy l moiety at position O-3. A natural product found in <ital>Luffa acutangula</ital> and <ital>Viola hondoensis</ital>. ChEBI CHEBI:65370
      A pentacyclic triterpenoid that is oleanolic acid substituted by a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosy; l moiety at position O-3. A natural product found in Luffa acutangula and Viola hond oensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65370
      A pentacyclic triterpenoid that is oleanolic acid substituted by a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl moiety at position O-3. A natural product found in Luffa acutangula and Viola hondoe nsis. ChEBI CHEBI:65370

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in DOI: 10.1590/S0100-40422008000400023. Stereochemistry for oleanolic acid found on ChemSpider]
      Swartzia langsdorfii (Fabaceae) Susan Richardson [Structure found in DOI: 10.1590/S0100-40422008000400023. Stereochemistry for oleanolic acid found on ChemSpider]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 883.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.9±6.0 kJ/mol
Flash Point: 259.5±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 1599.86
ACD/KOC (pH 5.5): 3750.30
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 25.18
ACD/KOC (pH 7.4): 59.04
Polar Surface Area: 216 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 582.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement