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Chemical structure of Gentianose

GC64755

Gentianose

Also known as (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Gentianose is a predominant carbohydrate reserve found in the storage roots of perennial Gentiana lutea

ChemicalCAS25954-44-3MW504.44FormulaC18H32O16
CAS number
25954-44-3
Molecular weight
504.44
Formula
C18H32O16
Solubility
DMSO ： 100 mg/mL (198·24 mM; Need ultrasonic)
InChIKey
MUPFEKGTMRGPLJ-WSCXOGSTSA-N
Catalogue number
GC64755
Brand
GLPBIO
Computed properties PubChem CID 117678 · XLogP -5.8 · TPSA 269 Ų · H-bond donors 11
XLogP
-5.8
TPSA
269 Ų
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
34

SMILES C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 117678), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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