Oligoses

Gentianose

龙胆三糖

PHY-NP-04966 · Natural product research catalog

Catalog number	PHY-NP-04966
CAS number	25954-44-3
Molecular formula	C₁₈H₃₂O₁₆
Molecular weight	504.438 g/mol
Chemical class	Oligoses
Main reported source	Gentiana lutea
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Gentianose is listed in the Oligoses section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	(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
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
InChIKey	MUPFEKGTMRGPLJ-WSCXOGSTSA-N
Subclass / scaffold	Disaccharides Polysaccharides
PubChem CID	117678

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	3
Aromatic rings	0
Fraction Csp³	1.0
Synthetic accessibility score	4.98
QED score	0.146
Lipinski rule violations	3
NPClassifier pathway	Carbohydrates
NPClassifier superclass	Saccharides
NPClassifier class	Disaccharides；Polysaccharides
Parent SMILES	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Parent formula	C₁₈H₃₂O₁₆
Parent molecular weight	504.438
Specified stereocenters	14
Unspecified stereocenters	0

Main reported source	Gentiana lutea
Reported source families	Gentianaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Gentiana lutea[2]; Gentiana algida[1]; Gentiana linearis[1]; Gentiana orbicularis[1]; Gentianella campestris[1]; Gentianella serotina[1]; Gentianopsis barbata[1]; Gentianopsis barbellata[1]; Gentianopsis ciliata[1]; Gentianopsis crinita[1]; Gentianopsis detonsa[1]; Gentianopsis grandis[1]; Gentianopsis lanceolata[1]; Gentianopsis paludosa[1]; Gentianopsis simplex[1]
All reported source families	Gentianaceae[16]
LOTUS species records	16
LOTUS reference records	4
COCONUT occurrence records	Gentiana algida; Gentiana linearis; Gentiana lutea; Gentiana orbicularis; Gentiana rigescens; Gentiana scabra; Gentianella campestris; Gentianella serotina; Gentianopsis barbata; Gentianopsis barbellata; Gentianopsis ciliata; Gentianopsis crinita; Gentianopsis detonsa; Gentianopsis grandis; Gentianopsis lanceolata; Gentianopsis paludosa; Gentianopsis simplex; Gentianopsis thermalis; Great yellow gentian
COCONUT organism records	19
COCONUT identifier	CNP0246211.3

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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