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Chemical structure of Secoxyloganin

GC39145

Secoxyloganin

Also known as 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid

Secoxyloganin, isolated from Lonicera japonica Thunb, inhibits the blood flow (BF) decrease

ChemicalCAS58822-47-2MW404.37FormulaC17H24O11
CAS number
58822-47-2
Molecular weight
404.37
Formula
C17H24O11
Solubility
DMF： 5mg/mL,DMSO： 5mg/mL,Ethanol： 10mg/mL,PBS (pH 7·2)： 10mg/mL
InChIKey
MQLSOVRLZHTATK-PEYNGXJCSA-N
Catalogue number
GC39145
Brand
GLPBIO
Computed properties PubChem CID 162868 · XLogP -1.6 · TPSA 172 Ų · H-bond donors 5
XLogP
-1.6
TPSA
172 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
28

SMILES COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Computed descriptors from PubChem (CID 162868), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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