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Chemical structure of Purpureaside C

GC33858

Purpureaside C

Also known as [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5R,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] 3-(3,4-dihydroxyphenyl)prop-2-enoate

Purpureaside C is a phenolic glycoside and has significant proinflammatory action

ChemicalCAS108648-07-3MW786.73FormulaC35H46O20
CAS number
108648-07-3
Molecular weight
786.73
Formula
C35H46O20
Solubility
DMSO ： 125 mg/mL (158·89 mM)
InChIKey
FSBUXLDOLNLABB-ADKKKDNXSA-N
Catalogue number
GC33858
Brand
GLPBIO
Computed properties PubChem CID 442803 · XLogP -2.1 · TPSA 324 Ų · H-bond donors 12
XLogP
-2.1
TPSA
324 Ų
H-bond donors
12
H-bond acceptors
20
Rotatable bonds
14
Heavy atoms
55

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=CC3=CC(=C(C=C3)O)O)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 442803), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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