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Chemical structure of Luteolin 7-diglucuronide

GC64298

Luteolin 7-diglucuronide

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

Luteolin 7-diglucuronide is the major flavonoid isolated from Aloysia triphylla and Verbena officinalis

ChemicalCAS96400-45-2MW638.48FormulaC27H26O18
CAS number
96400-45-2
Molecular weight
638.48
Formula
C27H26O18
Solubility
DMSO ： ≥ 250 mg/mL (391·55 mM)
InChIKey
PBBVWJQPAZYQDB-DBFWEQBMSA-N
Catalogue number
GC64298
Brand
GLPBIO
Computed properties PubChem CID 5282153 · XLogP -0.6 · TPSA 300 Ų · H-bond donors 10
XLogP
-0.6
TPSA
300 Ų
H-bond donors
10
H-bond acceptors
18
Rotatable bonds
7
Heavy atoms
45

SMILES C1=CC(=C(C=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)O

Computed descriptors from PubChem (CID 5282153), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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