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Chemical structure of Acacetin 7-O-glucuronide

GC71959

Acacetin 7-O-glucuronide

Also known as (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Acacetin 7-O-glucuronide is a glucuronide isolated from the methanolic leaf extract of Acacetin

ChemicalCAS38226-83-4MW460.39FormulaC22H20O11
CAS number
38226-83-4
Molecular weight
460.39
Formula
C22H20O11
Solubility
DMSO ： 42·54 mg/mL (92·40 mM; Need ultrasonic and warming; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
ZWVNKIJIVBIMSW-SXFAUFNYSA-N
Catalogue number
GC71959
Brand
GLPBIO
Computed properties PubChem CID 15344014 · XLogP 1.4 · TPSA 172 Ų · H-bond donors 5
XLogP
1.4
TPSA
172 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
33

SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

Computed descriptors from PubChem (CID 15344014), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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