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Chemical structure of 3-Feruloyl-1-Sinapoyl sucrose

GC35096

3-Feruloyl-1-Sinapoyl sucrose

Also known as [(2R,3S,4R,5R)-4-hydroxy-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

3-Feruloyl-1-Sinapoyl sucrose (compound 1) is a glycoside isolated from the aerial parts of Polygala chamaebuxus

ChemicalCAS98942-06-4MW724.66FormulaC33H40O18
CAS number
98942-06-4
Molecular weight
724.66
Formula
C33H40O18
Solubility
Soluble in DMSO
InChIKey
LHGNBKKPEPCPCT-MAPAUBAGSA-N
Catalogue number
GC35096
Brand
GLPBIO
Computed properties PubChem CID 134715163 · XLogP 0.1 · TPSA 270 Ų · H-bond donors 8
XLogP
0.1
TPSA
270 Ų
H-bond donors
8
H-bond acceptors
18
Rotatable bonds
16
Heavy atoms
51

SMILES COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 134715163), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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