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Chemical structure of Parishin B

GC36856

Parishin B

Also known as 3-hydroxy-5-oxo-5-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid

Parishin B, a parishin derivative isolated from Gastrodia elata, may have antioxidant property

ChemicalCAS174972-79-3MW728.65FormulaC32H40O19
CAS number
174972-79-3
Molecular weight
728.65
Formula
C32H40O19
Solubility
Soluble in DMSO
InChIKey
UNLDMOJTKKEMOG-IWOWLDPGSA-N
Catalogue number
GC36856
Brand
GLPBIO
Computed properties PubChem CID 44715528 · XLogP -2.7 · TPSA 309 Ų · H-bond donors 10
XLogP
-2.7
TPSA
309 Ų
H-bond donors
10
H-bond acceptors
19
Rotatable bonds
17
Heavy atoms
51

SMILES C1=CC(=CC=C1COC(=O)CC(CC(=O)O)(C(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 44715528), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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