Neohesperidose

(2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Also Known As: Neohesperidose|Neohesperidoside|beta-Neohesperidose|GlyTouCan:G13233ZQ|SureCN6521257|Ambap17074-02-1|2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose|2-O-alpha-L-Rhamnosyl-D-glucose|2-O-a-L-Rhamnopyranosyl-D-glucose|G13233ZQ|alpha-L-Rhap-(1->2)-beta-D-Glcp|2-O-alpha-l-rhamnosyl-beta-d-glucose|(4-Chloro-2-methoxyphenyl)acetic acid|J3.288.339G|2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose|alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose|2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose|6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose|(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2,4,5-triol|(2S,3R,4R,5R,6S)-2-methyl-6-((2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl)oxy-tetrahydropyran-3,4,5-triol|(2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol|(2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol|(2S,3R,4R,5R,6S)-2-methyl-6-{[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

Molecular Formula	C12H22O10
Molecular Weight	326.1213 g/mol
LogP	-3.7
Topological Polar Surface Area	169.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	326.1213
Monoisotopic Mass	326.1213
Heavy Atoms	22
Complexity	368.0

Chemical Identifiers

CAS Number	19949-48-5
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O)O)O)O
InChIKey	VSRVRBXGIRFARR-OUEGHFHCSA-N