(2S)-2-[3-(β-D-Glucopyranosyloxy)-4-Hydroxyphenyl]-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl β-D-Glucopyranoside

Properties Simple | Detailed

Property	Value
Formula	C₂₇H₃₂O₁₅
IUPAC Name	4-[(2s)-4-oxo-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-2,5,6,8-tetrahydrochromene-5,6,8-triid-2-yl]-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-benzene-3,5,6-triid-1-olate
Molecular Mass	596.534 g·mol⁻¹
Heat of Formation	-2510.3 ± 16.7 kJ·mol⁻¹
Dipole Moment	4.43 ± 1.08 D
Volume	652.69 Å ³
Surface Area	504.79 Å ²
HOMO Energy	-9.31 ± 0.55 eV
LUMO Energy	-0.56 ± eV
Point Group Symmetry	C₁
Synonyms	(2s)-2-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one (2s)-2-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one (2s)-2-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one (2s)-2-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one (2s)-2-[4-hydroxy-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone 4h-1-benzopyran-4-one, 7-(beta-d-glucopyranosyloxy)-2-(3-(beta-d-glucopyranosyloxy)-4-hydroxyphenyl)-2,3-dihydro-, (s)- 7,3',4'-trihydroxyflavanone-7,3'-diglucoside butin 7,3'-di-o-glucoside butrin
CAS Number(s)	492-13-7
InChIKey	QVCQYYYTMIZOGK-VQBAZXIRSA-N
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Links	PubChem ChemSpider
DOI	10.17614/Q4445HQ8G 10/f3bjxg
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