Basic information
- CAS
55196-48-0- Standard SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12- InChIKey
QWAZWXOCSOFIPS-FASGCTRLSA-N- Molecular formula
- C27H30O16
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 610.15338487
Overview
Isoorientin 2''-O-glucoside is a tetrahydroxyflavone that consists of isoorientin having a beta-glucosyl residue attached at position 2''. It has a role as a plant metabolite. It is a polyphenol, a tetrahydroxyflavone and a flavone C-glycoside. It is functionally related to an isoorientin.
Names & identifiers
- Preferred name
- isoorientin 2''-O-glucoside
- IUPAC
- 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Names & synonyms
Meloside Lisoorientin 2''-O-glucoside55196-48-0isoorientin 2''-glucopyranosideCHEBI:131779(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-2-O-beta-D-glucopyranosyl-D-glucitol6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one(1S)-1,5-anhydro-1-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl)-2-O-beta-D-glucopyranosyl-D-glucitol6-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneRefChem:149675Isoorientin 2''-O-glucopyranosideisoorientin 2''-glucoside
Show more names
SCHEMBL27412729SCHEMBL41950802DTXSID901310776Isoorientin 2''-Beta-D-GlucosideIsoorientin 2a(2)a(2)-O-glucosideLMPK12110497
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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