ChemSpider 2D Image | leufolin A | C30H28O12

leufolin A

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID28540421

  • 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)-5,7-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)-5,7-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-5,7-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)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
leufolin A
{6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-H-chromen-2-yl)phenoxy]-3,4,5-trihydroxytetrahydro-2H-pyran- 2-yl}methyl-(E)-3-(4-hydroxyphenyl)-2-propenoate
4-[(2S)-5,7-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 (<stereo>S</stereo>)-naringenin attached to a 6-<element>O</element>-[(2<stereo>E</stereo>)-3-(4-hydroxyphenyl)prop-2-enoyl]-<stereo>beta</stereo>-<stereo>D</stereo>-glu copyranosyl moiety at position 4' via a glycosidic linkage. Isolated from <ital>Leucas urticifolia</ital>, it acts as a cholinesterase inhibitor. ChEBI CHEBI:66575
      A flavanone glycoside that is (S)-naringenin attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glu; copyranosyl moiety at position 4' via a glycosidic linkage. Isolated from Leucas urti cifolia, it acts as a cholinesterase inhibitor. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66575
      A flavanone glycoside that is (S)-naringenin 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 Leucas urtici folia, it acts as a cholinesterase inhibitor. ChEBI CHEBI:66575

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: 4.41
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.00
ACD/KOC (pH 5.5): 935.23
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 39.92
ACD/KOC (pH 7.4): 373.38
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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