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Chemical structure of Gaultherin

GC62200

Gaultherin

Also known as methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate

Gaultherin, a natural salicylate derivative, is isolated from Gaultheria yunnanensis

ChemicalCAS490-67-5MW446.4FormulaC19H26O12
CAS number
490-67-5
Molecular weight
446.4
Formula
C19H26O12
InChIKey
VHUNCYDAXJGCLO-AHMNSWSSSA-N
Catalogue number
GC62200
Brand
GLPBIO
Computed properties PubChem CID 5315244 · XLogP -2.5 · TPSA 185 Ų · H-bond donors 6
XLogP
-2.5
TPSA
185 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
31

SMILES COC(=O)C1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O

Computed descriptors from PubChem (CID 5315244), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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