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(2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol

Properties

Image

Occurences in reactions

MNX_ID

MNXM101030

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₈H₃₈O₁₃

charge

mass

582.23124

reference

chebi:67413

InChIKey

PQQRNPDHSJDAGV-OMSDARFTSA-N

InChI

InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19-,20+,23-,25+,26-,28-/m1/s1

SMILES

COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67413 chebi:67413	(2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol [(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside