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Chemical structure of Oleonuezhenide

GC60275

Oleonuezhenide

Also known as methyl (5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-5-[2-[(2S,3E)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Oleonuezhenide, isolated from Fructus Ligustri Lucidi, exerts neuroprotective effects

ChemicalCAS112693-21-7MW1073.01FormulaC48H64O27
CAS number
112693-21-7
Molecular weight
1073.01
Formula
C48H64O27
InChIKey
MFZDFMOKBMJUGB-CWERYYTKSA-N
Catalogue number
GC60275
Brand
GLPBIO
Computed properties PubChem CID 6443262 · XLogP -3.5 · TPSA 402 Ų · H-bond donors 11
XLogP
-3.5
TPSA
402 Ų
H-bond donors
11
H-bond acceptors
27
Rotatable bonds
23
Heavy atoms
75

SMILES C/C=C\1/[C@@H](OC=C(C1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)OC(=O)CC\4C(=CO[C@H](/C4=C/C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)OC)O)O)C(=O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Computed descriptors from PubChem (CID 6443262), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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