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Chemical structure of 5,7,8-Trihydroxy-6-methoxy flavone-7-O-glucuronideb

GC68559

5,7,8-Trihydroxy-6-methoxy flavone-7-O-glucuronideb

Also known as (2S,3S,4S,5R,6S)-6-(5,8-dihydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

5,7,8-Trihydroxy-6-methoxy flavone-7-O-glucuronideb is a natural product that can be isolated from Scutellaria baicalensis Georgi

ChemicalCAS164022-76-8MW476.39FormulaC22H20O12
CAS number
164022-76-8
Molecular weight
476.39
Formula
C22H20O12
InChIKey
JWFBVQAFQYCXFD-AEOXVINBSA-N
Catalogue number
GC68559
Brand
GLPBIO
Computed properties PubChem CID 163321592 · XLogP 1.1 · TPSA 192 Ų · H-bond donors 6
XLogP
1.1
TPSA
192 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
34

SMILES COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

Computed descriptors from PubChem (CID 163321592), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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