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Chemical structure of Jionoside A1

GC36369

Jionoside A1

Also known as [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Jionoside A1 isolated from Radix Rehmanniae Praeparata displays dose dependent immune-enhancement activity and possesses moderate protective activities on H2O2-treated SH-SY5Y cells

ChemicalCAS120444-60-2MW800.75FormulaC36H48O20
CAS number
120444-60-2
Molecular weight
800.75
Formula
C36H48O20
Solubility
Soluble in DMSO
InChIKey
UAPZTGRENZINFN-WEDRDYHSSA-N
Catalogue number
GC36369
Brand
GLPBIO
Computed properties PubChem CID 6325450 · XLogP -1.8 · TPSA 313 Ų · H-bond donors 11
XLogP
-1.8
TPSA
313 Ų
H-bond donors
11
H-bond acceptors
20
Rotatable bonds
15
Heavy atoms
56

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

Computed descriptors from PubChem (CID 6325450), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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