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Chemical structure of Notoginsenoside R3

GC76241

Notoginsenoside R3

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

Notoginsenoside R3 is an active principle components of P· notoginseng

ChemicalCAS87741-76-2MW963.15FormulaC48H82O19
CAS number
87741-76-2
Molecular weight
963.15
Formula
C48H82O19
InChIKey
YPUHYSBFIMWSEC-OEHDJSDTSA-N
Catalogue number
GC76241
Brand
GLPBIO
Computed properties PubChem CID 73351440 · XLogP 0.5 · TPSA 318 Ų · H-bond donors 13
XLogP
0.5
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(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)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C

Computed descriptors from PubChem (CID 73351440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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