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Chemical structure of Pseudoprotodioscin

GC38839

Pseudoprotodioscin

Also known as (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Pseudoprotodioscin, a furostanoside, inhibits SREBP1/2 and microRNA 33a/b levels and reduces the gene expression regarding the synthesis of cholesterol and triglycerides

ChemicalCAS102115-79-7MW1031.18FormulaC51H82O21
CAS number
102115-79-7
Molecular weight
1031.18
Formula
C51H82O21
Solubility
DMF: 10 mg/ml,DMSO: 10 mg/ml,PBS (pH 7·2): 5 mg/ml
InChIKey
MDCUMTGKKLOMCW-XNVNDPJESA-N
Catalogue number
GC38839
Brand
GLPBIO
Computed properties PubChem CID 21637110 · XLogP -1 · TPSA 326 Ų · H-bond donors 12
XLogP
-1
TPSA
326 Ų
H-bond donors
12
H-bond acceptors
21
Rotatable bonds
14
Heavy atoms
72

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O[C@H]4CC[C@@]5([C@H]6CC[C@]7([C@H]([C@@H]6CC=C5C4)C[C@H]8[C@@H]7C(=C(O8)CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)CO)O)O)O

Computed descriptors from PubChem (CID 21637110), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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