Butrin

(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]oxy-2,3-dihydrochromen-4-one

Also Known As: Butrin|Butin 7,3'-di-O-glucoside|7,3',4'-Trihydroxyflavanone-7,3'-diglucoside|(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]oxy-2,3-dihydrochromen-4-one|(2S)-2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranoside|4h-1-benzopyran-4-one, 7-(|A-d-glucopyranosyloxy)-2-(3-(|A-d-glucopyranosyloxy)-4-hydroxyphenyl)-2,3-dihydro-,(s)-|4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-2,3-dihydro-, (S)-|(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)oxy-2,3-dihydrochromen-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-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-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|(S)-7-(beta-D-Glucopyranosyloxy)-2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-2,3-dihydro-4H-1-benzopyran-4-one|2-[3-(Hexopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside

Molecular Formula	C27H32O15
Molecular Weight	596.17413 g/mol
LogP	-1.8
Topological Polar Surface Area	245.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	15
Rotatable Bonds	7
Exact Mass	596.17413
Monoisotopic Mass	596.17413
Heavy Atoms	42
Complexity	909.0

Chemical Identifiers

CAS Number	5445-64-7
SMILES	C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChIKey	QVCQYYYTMIZOGK-VQBAZXIRSA-N