(2R)-7-hydroxy-5-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one

HCID 178975799

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Basic information

Standard SMILES: COc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)O2
InChIKey: ZXWFRMFIGVXAJG-KXESONALSA-N
Molecular formula: C22H24O10
Average molar mass: 448.4 g/mol
Monoisotopic mass: 448.13694697

Overview

(2R)-7-hydroxy-5-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one has been reported in Alhagi maurorum with data available.

Names & identifiers

Preferred name: (2R)-7-hydroxy-5-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
IUPAC: (2R)-7-hydroxy-5-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 155 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 638

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Compound notes

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