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Chemical structure of Deacetyl asperulosidic acid methyl ester

GC33776

Deacetyl asperulosidic acid methyl ester

Also listed as Methyl deacetylasperulosidate (6α-Hydroxygeniposide)

Methyl deacetylasperulosidate (6α-Hydroxygeniposide) is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice

ChemicalCAS52613-28-2MW404.37FormulaC17H24O11
CAS number
52613-28-2
Molecular weight
404.37
Formula
C17H24O11
Solubility
Methanol ： ≥ 125 mg/mL (309·12 mM)
InChIKey
WSGPLSDARZNMCW-FCVLBCLDSA-N
Catalogue number
GC33776
Brand
GLPBIO
Computed properties PubChem CID 6325021 · XLogP -3.5 · TPSA 175 Ų · H-bond donors 6
XLogP
-3.5
TPSA
175 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
28

SMILES COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed descriptors from PubChem (CID 6325021), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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