Ophioglonol 4'-O-Beta-D-Glucopyranoside

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Basic information

CAS: 850754-69-7
Standard SMILES: O=c1c(CO)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey: XTPXAOSAGWJNDB-VQIXPAPJSA-N
Molecular formula: C22H22O12
Average molar mass: 478.4 g/mol
Monoisotopic mass: 478.11112613

Overview

Ophioglonol 4'-O-beta-D-glucopyranoside is a homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum. It has a role as a metabolite and a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a homoflavonoid glycoside and a hydroxy homoflavonoid. It is functionally related to an ophioglonol.

Names & identifiers

Preferred name: Ophioglonol 4'-O-Beta-D-Glucopyranoside
IUPAC: 5,7-dihydroxy-3-(hydroxymethyl)-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Names & synonyms

Ophioglonol 4'-O-beta-D-glucopyranosideCHEBI:67935850754-69-74-[5,7-Dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside4-(5,7-dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl beta-D-glucopyranoside5,7-dihydroxy-3-(hydroxymethyl)-2-(3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one5,7-dihydroxy-3-(hydroxymethyl)-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-oneRefChem:168372Ophioglonol 4'-O-b-D-glucopyranosideOphioglonol 4'-O-I2-D-glucopyranosideCHEMBL1773609DTXSID701291510

Show more names

Ophioglonol 4a(2)-O-I(2)-D-glucopyranosideQ271364094-[5,7-Dihydroxy-3-(hydroxymethyl)-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside

Database identifiers

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 207 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 12
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 773

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Compound notes

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