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Chemical structure of 20(R)-Notoginsenoside R2

GC35073

20(R)-Notoginsenoside R2

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

20(R)-Notoginsenoside R2 is an isolated notoginsenoside from Panax notoginseng

ChemicalCAS948046-15-9MW770.99FormulaC41H70O13
CAS number
948046-15-9
Molecular weight
770.99
Formula
C41H70O13
Solubility
Soluble in DMSO
InChIKey
FNIRVWPHRMMRQI-RFMRREALSA-N
Catalogue number
GC35073
Brand
GLPBIO
Computed properties PubChem CID 16757287 · XLogP 2.7 · TPSA 219 Ų · H-bond donors 9
XLogP
2.7
TPSA
219 Ų
H-bond donors
9
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
54

SMILES CC(=CCC[C@](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@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O)C

Computed descriptors from PubChem (CID 16757287), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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