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Chemical structure of Isoastragaloside IV

GC33593

Isoastragaloside IV

Also known as (2S,3R,4S,5S,6R)-2-[2-[(2S,5R)-5-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Isoastragaloside IV is a triterpene oligoglycoside isolated from Astragali Radix

ChemicalCAS136033-55-1MW784.97FormulaC41H68O14
CAS number
136033-55-1
Molecular weight
784.97
Formula
C41H68O14
Solubility
DMSO ： 50 mg/mL (63·70 mM; Need ultrasonic)
InChIKey
MSSYPWFHLFBMMP-BQAOMNQWSA-N
Catalogue number
GC33593
Brand
GLPBIO
Computed properties PubChem CID 102393334 · XLogP 1.3 · TPSA 228 Ų · H-bond donors 9
XLogP
1.3
TPSA
228 Ų
H-bond donors
9
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
55

SMILES C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O

Computed descriptors from PubChem (CID 102393334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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