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Chemical structure of Reynoutrin

GC34758

Reynoutrin

Also known as 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one

Reynoutrin (Quercetin-3-D-xyloside) is a flavonoid from Psidium cattleianum, with antioxidant and radical-scavenging activity

ChemicalCAS549-32-6MW434.35FormulaC20H18O11
CAS number
549-32-6
Molecular weight
434.35
Formula
C20H18O11
Solubility
DMSO ： 150 mg/mL (345·34 mM)
InChIKey
PZZRDJXEMZMZFD-BWYUNELBSA-N
Catalogue number
GC34758
Brand
GLPBIO
Computed properties PubChem CID 5320861 · XLogP 0.4 · TPSA 186 Ų · H-bond donors 7
XLogP
0.4
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
31

SMILES C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Computed descriptors from PubChem (CID 5320861), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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