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Chemical structure of 3-O-Feruloyl-6′-O-(4-O-β-D-glucopyranosylferuloyl)sucrose

GC68541

3-O-Feruloyl-6′-O-(4-O-β-D-glucopyranosylferuloyl)sucrose

Also known as [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

3-O-Feruloyl-6'-O-(4-O-beta-D-glucopyranosylferuloyl)sucrose is a natural product that can be isolated from Lilium henryi Baker

ChemicalCAS117591-89-6MW856.77FormulaC38H48O22
CAS number
117591-89-6
Molecular weight
856.77
Formula
C38H48O22
InChIKey
LNADBRJCSVTTPA-OYPYVSOESA-N
Catalogue number
GC68541
Brand
GLPBIO
Computed properties PubChem CID 101450504 · XLogP -2.2 · TPSA 340 Ų · H-bond donors 11
XLogP
-2.2
TPSA
340 Ų
H-bond donors
11
H-bond acceptors
22
Rotatable bonds
18
Heavy atoms
60

SMILES COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O)O)O)CO)O)O

Computed descriptors from PubChem (CID 101450504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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