Multiflorin B structure

Multiflorin B

3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Also Known As: Multiflorin B|Multiflorin|Kaempferol-3-O-glucorhamnoside|HY-N12317|Kaempferol 3-(4-glucosylrhamnoside)|4 -O-beta-D-Glucopyranosylafzelin|J1.243.549E|3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside|kaempferol-3-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranoside|3-[(4-O-beta-D-Glucopyranosyl-alpha-L-rhamnopyranosyl)oxy]-4 ,5,7-trihydroxy-flavone|3-[(4-O-beta-D-Glucopyranosyl-alpha-L-rhamnopyranosyl)oxy]-4 ,5,7-trihydroxyflavone|2-(4-Hydroxyphenyl)-3-(4-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one|3-((2S,3S,5R)-3,4-dihydroxy-6-methyl-5-((2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one|3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|4H-1-Benzopyran-4-one, 3-[(6-deoxy-4-O-|A-D-glucopyranosyl-|A-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-

CAS: 52657-01-9
Molecular Formula C27H30O15
Molecular Weight 594.15845 g/mol
LogP -1.3927
Topological Polar Surface Area 249.2 Ų
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
Rotatable Bonds 6
Exact Mass 594.15845
Monoisotopic Mass 594.15845
Heavy Atoms 42
Complexity 1471.1172

Chemical Identifiers

CAS Number 52657-01-9
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Product Overview

Multiflorin B (CAS 52657-01-9), with molecular formula C27H30O15 and molecular weight 594.15845 g/mol. IUPAC: 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.

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