ChemSpider 2D Image | Bulbineloneside D | C29H26O13

Bulbineloneside D

  • Molecular FormulaC29H26O13
  • Average mass582.509 Da
  • Monoisotopic mass582.137329 Da
  • ChemSpider ID8184020

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Acetyl-4-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl)-3,5-dihydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Acetyl-4-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl)-3,5-dihydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4'-O-demethylknipholone-4'-O-β-D-glucopyranoside
9,10-Anthracenedione, 1-[3-acetyl-4-(β-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-4,5-dihydroxy-2-methyl- [ACD/Index Name]
Bulbineloneside D
β-D-Glucopyranoside de 2-acétyl-4-(4,5-dihydroxy-2-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényl)-3,5-dihydroxyphényle [French] [ACD/IUPAC Name]
(-)-P-4'-demethylknipholone 4'-O-β-D-glucopyranoside
2-acetyl-4-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-3,5-dihydroxyphenyl β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447622/
  • Miscellaneous

    • Chemical Class:

      An anthraquinone that is knipholone in which the <element>O</element>-methyl group is replaced by a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl group. It is isolated from the roots of <it al>Bulbine frutescens</ital> and exhibits trypanocidal and antiplasmodial activities. ChEBI CHEBI:65741
      An anthraquinone that is knipholone in which the O-methyl group is replaced by a beta-D-glucopyranosyl group. It is isolated from the roots of Bulbine frutescens and exhibits trypanocidal and antipla smodial activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65741, CHEBI:65741

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

Density: 1.6±0.1 g/cm3
Boiling Point: 955.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.6±3.0 kJ/mol
Flash Point: 317.4±27.8 °C
Index of Refraction: 1.733
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 7.91
ACD/KOC (pH 5.5): 95.61
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 93.4±3.0 dyne/cm
Molar Volume: 353.0±3.0 cm3

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