ChemSpider 2D Image | 3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]asiatic acid | C48H78O19

3-O-[β-D-glucopyranosyl]-28-O-[α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranosyl]asiatic acid

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID29368023

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

1268696-95-2 [RN]
2-O-(6-Deoxy-α-L-mannopyranosyl)-1-O-[(2α,3β)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
2-O-(6-Desoxy-α-L-mannopyranosyl)-1-O-[(2α,3β)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-1-O-[(2α,3β)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
3-O-[β-D-glucopyranosyl]-28-O-[α-L-rhamnopyranosyl-(1->;2)-β-D-glucopyranosyl]asiatic acid
β-D-Glucopyranose, 2-O-(6-deoxy-α-L-mannopyranosyl)-1-O-[(2α,3β)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
missing
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that is asiatic acid attached to a a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 3 and a <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranos yl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 28. Isolated from the methanolic extract of the leaves of <ital>Symplocos lancifolia</ital>, it exhibits antibacterial activity. ChEBI CHEBI:68379
      A triterpenoid saponin that is asiatic acid attached to a a beta-D-glucopyranosyl residue at position 3 and a alpha-L-rhamnopyranos; yl-(1right2)-beta-D-glucopyranosyl residue at position 28. Isolate d from the methanolic extract of the leaves of Symplocos lancifolia, it ; exhibits antibacterial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68379
      A triterpenoid saponin that is asiatic acid attached to a a beta-D-glucopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue at position 28. Isolated fro m the methanolic extract of the leaves of Symplocos lancifolia, it exhibits antibacterial activity. ChEBI CHEBI:68379

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1028.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.1±6.0 kJ/mol
Flash Point: 291.6±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 236.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.72
ACD/KOC (pH 5.5): 997.55
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.72
ACD/KOC (pH 7.4): 997.54
Polar Surface Area: 315 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 664.2±5.0 cm3

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