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Chemical structure of Ligupurpuroside B

GC36461

Ligupurpuroside B

Also known as [4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

Ligupurpuroside B is a glycoside isolated from Ligustrum robustum, with antioxidant activity

ChemicalCAS147396-02-9MW738.73FormulaC35H46O17
CAS number
147396-02-9
Molecular weight
738.73
Formula
C35H46O17
Solubility
Soluble in DMSO
InChIKey
FNUMFJHHCJMAHD-UHFFFAOYSA-N
Catalogue number
GC36461
Brand
GLPBIO
Computed properties PubChem CID 131848455 · XLogP -0.9 · TPSA 264 Ų · H-bond donors 9
XLogP
-0.9
TPSA
264 Ų
H-bond donors
9
H-bond acceptors
17
Rotatable bonds
13
Heavy atoms
52

SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC(=O)C=CC4=CC=C(C=C4)O)CO)OCCC5=CC=C(C=C5)O)O)C)O)O)O

Computed descriptors from PubChem (CID 131848455), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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