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Chemical structure of Polygalaxanthone XI

GC36945

Polygalaxanthone XI

Also known as 2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one

Polygalaxanthone XI, a xanthone glycoside isolated from the cortexes of Polygala tenuifolia, can be used in the study of expectorant, and tranquilizing agent

ChemicalCAS857859-82-6MW568.48FormulaC25H28O15
CAS number
857859-82-6
Molecular weight
568.48
Formula
C25H28O15
Solubility
DMSO ： 100 mg/mL (175·91 mM; Need ultrasonic)
InChIKey
GTRLQDJSEMBQNI-LYHRZCPZSA-N
Catalogue number
GC36945
Brand
GLPBIO
Computed properties PubChem CID 101740054 · XLogP -1.3 · TPSA 245 Ų · H-bond donors 9
XLogP
-1.3
TPSA
245 Ų
H-bond donors
9
H-bond acceptors
15
Rotatable bonds
6
Heavy atoms
40

SMILES COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O

Computed descriptors from PubChem (CID 101740054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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