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Chemical structure of Notoginsenoside Fa

GC36762

Notoginsenoside Fa

Also known as 2-[[6-[2-[3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-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 Fa, a protopanaxadiol (ppd)-type saponin isolated from P

ChemicalCAS88100-04-3MW1241.41FormulaC59H100O27
CAS number
88100-04-3
Molecular weight
1241.41
Formula
C59H100O27
Solubility
DMSO ： 100 mg/mL (80·55 mM; Need ultrasonic)
InChIKey
HERICYNRBVMDFO-UHFFFAOYSA-N
Catalogue number
GC36762
Brand
GLPBIO
Computed properties PubChem CID 75054973 · XLogP -1.3 · TPSA 436 Ų · H-bond donors 17
XLogP
-1.3
TPSA
436 Ų
H-bond donors
17
H-bond acceptors
27
Rotatable bonds
18
Heavy atoms
86

SMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)C)O)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C

Computed descriptors from PubChem (CID 75054973), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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