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Chemical structure of Araloside A

GC35380

Araloside A

Also known as (2S,3S,4R,5R,6S)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Araloside A (Chikusetsusaponin IV) is a component of Panax japonicus, with low-renin-inhibitory activity, with an IC50 of 77·4 μM

ChemicalCAS7518-22-1MW927.08FormulaC47H74O18
CAS number
7518-22-1
Molecular weight
927.08
Formula
C47H74O18
Solubility
PBS (pH 7·2)： 5 mg/ml
InChIKey
KQSFNXMDCOFFGW-UGBTYEQWSA-N
Catalogue number
GC35380
Brand
GLPBIO
Computed properties PubChem CID 197091 · XLogP 2.8 · TPSA 292 Ų · H-bond donors 10
XLogP
2.8
TPSA
292 Ų
H-bond donors
10
H-bond acceptors
18
Rotatable bonds
10
Heavy atoms
65

SMILES C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O

Computed descriptors from PubChem (CID 197091), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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