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Chemical structure of Asperulosidic Acid

GC35412

Asperulosidic Acid

Also known as (1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd

ChemicalCAS25368-11-0MW432.38FormulaC18H24O12
CAS number
25368-11-0
Molecular weight
432.38
Formula
C18H24O12
Solubility
DMSO ： 100 mg/mL (231·28 mM; Need ultrasonic)
InChIKey
DGDWCRWJRNMRKX-DILZHRMZSA-N
Catalogue number
GC35412
Brand
GLPBIO
Computed properties PubChem CID 11968867 · XLogP -3.2 · TPSA 192 Ų · H-bond donors 6
XLogP
-3.2
TPSA
192 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
30

SMILES CC(=O)OCC1=C[C@@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Computed descriptors from PubChem (CID 11968867), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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