Tiliroside

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Properties Simple | Detailed

Formula C30H26O13
IUPAC Name [(2r,3s,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 594.520 g·mol−1
Heat of Formation -1936.0 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 646.38 Å 3
Surface Area 497.05 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2r,3s,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2r,3s,4s,5r,6s)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl ester
  • 2-propenoic acid, 3-(4-hydroxyphenyl)-, 6'-ester with 3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-o-[(2e)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-.beta.-d-glucopyranosyl]oxy]-
  • [(2r,3s,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2r,3s,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • kaempferol-3-o-(6-o-trans-p-coumaroyl)-.beta.-glucopyranoside
  • megxp0_000169
  • potengriffioside a
  • tribuloside
CAS Number(s)
  • 20316-62-5
InChIKey DVGGLGXQSFURLP-VWMSDXGPSA-N
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