ChemSpider 2D Image | tiliroside | C30H26O13

tiliroside

  • Molecular FormulaC30H26O13
  • Average mass594.520 Da
  • Monoisotopic mass594.137329 Da
  • ChemSpider ID4478707

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2E)-3-(4-Hydroxyphényl)acrylate de [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yl]oxy}-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]méthyle
[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
[(2R,3S,4S,5R,6S)-6-{[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl (2E)-3-(4-hydroxyphenyl)acrylate
[(2R,3S,4S,5R,6S)-6-{[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl-(2E)-3-(4-hydroxyphenyl)acrylat
20316-62-5 [RN]
22153-44-2 [RN]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-b-D-glucopyranoside
More...

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

15M04TXR9M [DBID]
AIDS003029 [DBID]
AIDS-003029 [DBID]
UNII:15M04TXR9M [DBID]
UNII-15M04TXR9M [DBID]
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that is kaempferol attached to a 6-<element>O</element>-[(2<stereo>E</stereo>)-3-(4-hydroxyphenyl)prop-2-enoyl]-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue a t position 3 via a glycosidic linkage. ChEBI CHEBI:80944
      A glycosyloxyflavone that is kaempferol attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl residue a; t position 3 via a glycosidic linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:80944
      A glycosyloxyflavone that is kaempferol attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. ChEBI CHEBI:80944

    • Compound Source:

      flavonol acylglucoside biosynthesis I - kaempferol derivatives PlantCyc CPD-14976
      Linum usitatissimum PlantCyc CPD-14976

    • Bio Activity:

      4-coumaroyl-CoA + kaempferol 3-O-(6\"-O-p-coumaroyl)-glucoside + 4-coumaroyl-CoA -> kaempferol 3-O-(3\",6\"-O-di-p-coumaroyl)-glucoside + coenzyme A + coenzyme A PlantCyc CPD-14976
      4-coumaroyl-CoA + kaempferol 3-O-(6\"-O-p-coumaroyl)-glucoside + 4-coumaroyl-CoA -> kaempferol 3-O-(4\",6\"-O-di-p-coumaroyl)-glucoside + coenzyme A + coenzyme A PlantCyc CPD-14976
      4-coumaroyl-CoA + kaempferol-3-glucoside + kaempferol-3-glucoside + 4-coumaroyl-CoA + H+ + H+ -> kaempferol 3-O-(6\"-O-p-coumaroyl)-glucoside + coenzyme A + coenzyme A PlantCyc CPD-14976

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

Density: 1.7±0.1 g/cm3
Boiling Point: 943.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 311.9±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 23.52
ACD/KOC (pH 5.5): 309.27
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.01
Polar Surface Area: 213 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 106.7±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

Click to predict properties on the Chemicalize site


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