Glucosylorientin

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Basic information

CAS: 76135-83-6
Standard SMILES: O=c1cc(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIKey: IUPCXAQYIYDXBJ-TUTGZWPLSA-N
Molecular formula: C27H30O17
Average molar mass: 626.5 g/mol
Monoisotopic mass: 626.14829948

Overview

structure given in first source

Names & identifiers

Preferred name: Glucosylorientin
IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
English name: 2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H- 1-benzopyran-4-one mono-beta-D-glucopyranoside
Molecular weight: 0

Names & synonyms

GlucosylorientinGlucosyl-orientin76135-83-6RefChem:1436482-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-oneDTXSID409974852-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one mono-beta-D-glucopyranoside2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranoside2-(3,4-Dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-8-yl hexopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-, mono-beta-D-glucopyranoside2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H- 1-benzopyran-4-one mono-beta-D-glucopyranoside

Database identifiers

CAS: 76135-83-6
PubChem CID: 156385
DTXSID: DTXSID40997485

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 286 Å²
Hydrogen bond donors: 11
Hydrogen bond acceptors: 17
Rotatable bonds: 7
Heavy atoms: 44
Formal charge: 0
Complexity: 1,030

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Compound notes

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