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Chemical structure of Ajugol

GC30178

Ajugol

Also known as (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Ajugol is an iridoid glycoside that can be isolated from Sideritis germanicopolitana

ChemicalCAS52949-83-4MW348.35FormulaC15H24O9
CAS number
52949-83-4
Molecular weight
348.35
Formula
C15H24O9
Solubility
DMSO : ≥ 3·7 mg/mL (10·62 mM)
InChIKey
VELYAQRXBJLJAK-XKKWFBPMSA-N
Catalogue number
GC30178
Brand
GLPBIO
Computed properties PubChem CID 6325127 · XLogP -2.2 · TPSA 149 Ų · H-bond donors 6
XLogP
-2.2
TPSA
149 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
24

SMILES C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 6325127), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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