ChemSpider 2D Image | rotundifolioside H | C47H76O17

rotundifolioside H

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID9204522

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,16α)-16,23-Dihydroxy-13,28-epoxyurs-11-en-3-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16α)-16,23-Dihydroxy-13,28-epoxyurs-11-en-3-yl-β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
rotundifolioside H
β-D-Galactopyranoside, (3β,16α)-13,28-epoxy-16,23-dihydroxyurs-11-en-3-yl O-β-D-xylopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)-6-deoxy- [ACD/Index Name]
β-D-Xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-6-désoxy-β-D-galactopyranoside de (3β,16α)-16,23-dihydroxy-13,28-époxyurs-11-én-3-yle [French] [ACD/IUPAC Name]
13β,28-epoxy-16α,23-dihydroxyurs-11-en-3β-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->2)-β-D-fucopyranoside
  • Miscellaneous

    • Chemical Class:

      A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy groups at position 16 and 23 and a <stereo>beta</stereo>-<stereo>D</stereo>-xylop yranosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-fucopyranosyloxy group at position 3 (the 3< stereo>beta</stereo>,16<stereo>alpha</stereo> stereoisomer). Isolated from the fruits of <ital>Bupleurum rotundifolium</ital>, it exhibits antiproliferative activity against cancer cells. ChEBI CHEBI:66315
      A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy groups at position 16 and 23 and a beta-D-xylop; yranosyl-(1right2)-beta-D-glucop yranosyl-(1right2)-beta-D-fucopyranosyloxy group at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against can cer cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66315
      A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy groups at position 16 and 23 and a beta-D-xylopyranosyl-(1->2)-beta-D-glucopyrano syl-(1->2)-beta-D-fucopyranosyloxy group at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against cancer cell s. ChEBI CHEBI:66315

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 228.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1574.25
ACD/KOC (pH 5.5): 6757.48
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1574.24
ACD/KOC (pH 7.4): 6757.46
Polar Surface Area: 267 Å2
Polarizability: 90.5±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 644.4±5.0 cm3

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