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Chemical structure of Sibiricose A5

GC37636

Sibiricose A5

Also known as [(2S,3S,4R,5R)-4-hydroxy-2,5-bis(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

Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity

ChemicalCAS107912-97-0MW518.47FormulaC22H30O14
CAS number
107912-97-0
Molecular weight
518.47
Formula
C22H30O14
Solubility
DMSO ： 50 mg/mL (96·44 mM; Need ultrasonic)
InChIKey
ZPEADZHVGOCGKH-YQTDNFGYSA-N
Catalogue number
GC37636
Brand
GLPBIO
Computed properties PubChem CID 6326020 · XLogP -2 · TPSA 225 Ų · H-bond donors 8
XLogP
-2
TPSA
225 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
10
Heavy atoms
36

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)CO)O)O)O)CO)O)O

Computed descriptors from PubChem (CID 6326020), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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