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Chemical structure of Notoginsenoside Fe [M+H]+

GC33488

Notoginsenoside Fe [M+H]+

Also listed as Notoginsenoside Fe (Notoginseng triterpenes)

Notoginsenoside Fe (Notoginseng triterpenes) is a natural compound isolated from Panax japlcus var

ChemicalCAS88105-29-7MW917.13FormulaC47H80O17
CAS number
88105-29-7
Molecular weight
917.13
Formula
C47H80O17
Solubility
H2O ： 50 mg/mL (54·52 mM; Need ultrasonic); DMSO ： < 1 mg/mL (insoluble or slightly soluble)
InChIKey
MYBAONSAUGZRAX-UHFFFAOYSA-N
Catalogue number
GC33488
Brand
GLPBIO
Computed properties PubChem CID 73157876 · XLogP 2.5 · TPSA 278 Ų · H-bond donors 11
XLogP
2.5
TPSA
278 Ų
H-bond donors
11
H-bond acceptors
17
Rotatable bonds
13
Heavy atoms
64

SMILES CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(O7)CO)O)O)O)O)O)C

Computed descriptors from PubChem (CID 73157876), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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