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Chemical structure of Apigenin-7-diglucuronide

GC64349

Apigenin-7-diglucuronide

Also known as (2R,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6R)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Apigenin-7-diglucuronide is a flavonoid glycoside and is present in an assortment of medicinal plants with anti-inflammatory or ant-oxidant activities

ChemicalCAS74696-01-8MW622.49FormulaC27H26O17
CAS number
74696-01-8
Molecular weight
622.49
Formula
C27H26O17
InChIKey
SJFTVAAHLRFBST-NSHQGHFVSA-N
Catalogue number
GC64349
Brand
GLPBIO
Computed properties PubChem CID 126843388 · XLogP -0.2 · TPSA 279 Ų · H-bond donors 9
XLogP
-0.2
TPSA
279 Ų
H-bond donors
9
H-bond acceptors
17
Rotatable bonds
7
Heavy atoms
44

SMILES C1=CC(=CC=C1C2=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[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 126843388), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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