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Chemical structure of Ilexsaponin A

GC38566

Ilexsaponin A

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

Ilexsaponin A, isolated from the root of Ilex pubescens, attenuates ischemia-reperfusion-induced myocardial injury through anti-apoptotic pathway

ChemicalCAS108524-93-2MW664.82FormulaC36H56O11
CAS number
108524-93-2
Molecular weight
664.82
Formula
C36H56O11
Solubility
DMSO ： 100 mg/mL (150·42 mM; Need ultrasonic)
InChIKey
AWFZJSUJFSUBQU-MOJLLMCOSA-N
Catalogue number
GC38566
Brand
GLPBIO
Computed properties PubChem CID 72163175 · XLogP 3.4 · TPSA 194 Ų · H-bond donors 7
XLogP
3.4
TPSA
194 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
47

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Computed descriptors from PubChem (CID 72163175), 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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