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Chemical structure of Rehmapicroside

GC60319

Rehmapicroside

Also known as (3R)-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylic acid

Rehmapicroside is an ionone glycoside isolated from rhizomes of Rehmannia glutinosa

ChemicalCAS104056-82-8MW346.37FormulaC16H26O8
CAS number
104056-82-8
Molecular weight
346.37
Formula
C16H26O8
InChIKey
ITYUWPGZACWPPQ-QLDIZCGWSA-N
Catalogue number
GC60319
Brand
GLPBIO
Computed properties PubChem CID 21637711 · XLogP -0.6 · TPSA 137 Ų · H-bond donors 5
XLogP
-0.6
TPSA
137 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
24

SMILES CC1=C(C(CC[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C(=O)O

Computed descriptors from PubChem (CID 21637711), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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