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Chemical structure of Ginsenoside Rk3

GC31817

Ginsenoside Rk3

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

Ginsenoside Rk3 is present in the roots Panax notoginseng herbs

ChemicalCAS364779-15-7MW620.86FormulaC36H60O8
CAS number
364779-15-7
Molecular weight
620.86
Formula
C36H60O8
Solubility
DMSO ： 100 mg/mL (161·07 mM; Need ultrasonic)
InChIKey
AVXFIVJSCUOFNT-QXPABTKOSA-N
Catalogue number
GC31817
Brand
GLPBIO
Computed properties PubChem CID 75412555 · XLogP 5.7 · TPSA 140 Ų · H-bond donors 6
XLogP
5.7
TPSA
140 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
44

SMILES CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C

Computed descriptors from PubChem (CID 75412555), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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