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Chemical structure of Gypenoside XLVI

GC36206

Gypenoside XLVI

Also known as (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Gypenoside XLVI is one of the major dammarane-type triterpenoid saponins from Gynostamma pentaphallum· Gypenoside XLVI has a tetracyclic triterpene structure and possess potent non-small cell lung carcinoma A549 cell inhibitory activity

ChemicalCAS94705-70-1MW963.15FormulaC48H82O19
CAS number
94705-70-1
Molecular weight
963.15
Formula
C48H82O19
Solubility
Soluble in DMSO
InChIKey
VENRSYBHHVDBDC-YETCIKTFSA-N
Catalogue number
GC36206
Brand
GLPBIO
Computed properties PubChem CID 76320987 · XLogP 1.4 · TPSA 318 Ų · H-bond donors 13
XLogP
1.4
TPSA
318 Ų
H-bond donors
13
H-bond acceptors
19
Rotatable bonds
13
Heavy atoms
67

SMILES CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C

Computed descriptors from PubChem (CID 76320987), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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