ChemSpider 2D Image | leufolin B | C30H28O12

leufolin B

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID28540422

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[(2S)-6,8-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-6,8-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-6,8-dihydroxy-2-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]phenyl]-, (2S)- [ACD/Index Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 4-[(2S)-6,8-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
leufolin B
{6-[4-(6,8-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,5-dihydroxytetrahydro-2Hpyran-2-yl}methyl-(E)-3(4-hydroxyphenyl)-2-propenoate
4-[(2S)-6,8-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A flavanone glycoside that is 6,8,4'-trihydroxyflavanone attached to a 6-<element>O</element>-[(2<stereo>E</stereo>)-3-(4-hydroxyphenyl)prop-2-enoyl]-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyra nosyl moiety at position 4' via a glycosidic linkage. Isolated from <ital>Leucas urticifolia</ital>, it acts as a cholinesterase inhibitor. ChEBI CHEBI:66576
      A flavanone glycoside that is 6,8,4'-trihydroxyflavanone attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyra; nosyl moiety at position 4' via a glycosidic linkage. Isolated from Leucas urticifolia, it acts as a cholinesterase inhibitor. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66576
      A flavanone glycoside that is 6,8,4'-trihydroxyflavanone attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl moiety at position 4' via a glycosidic linkage. Isolated from Le ucas urticifolia, it acts as a cholinesterase inhibitor. ChEBI CHEBI:66576

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

Density: 1.5±0.1 g/cm3
Boiling Point: 909.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 300.6±27.8 °C
Index of Refraction: 1.701
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.24
ACD/KOC (pH 5.5): 320.37
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.44
ACD/KOC (pH 7.4): 280.02
Polar Surface Area: 192 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 80.6±3.0 dyne/cm
Molar Volume: 378.2±3.0 cm3

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