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Chemical structure of Xyloglucan heptasaccharide
Oligoses

Xyloglucan heptasaccharide

木七糖

PHY-NP-05064 · Natural product research catalog

Catalog numberPHY-NP-05064
CAS number121591-98-8
Molecular formulaC39H66O33
Molecular weight1062.924 g/mol
Chemical classOligoses
Purity / assayConfirmed in quotation and batch COA

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Product information

Xyloglucan heptasaccharide 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.

Names & identifiers

SMILESC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)O)CO)COC6C(C(C(CO6)O)O)O)COC7C(C(C(CO7)O)O)O)O)O)O)O)O)O
InChIKeyPZUPAGRIHCRVKN-UHFFFAOYSA-N
Subclass / scaffoldPolysaccharides
PubChem CID44630346

Computed properties & structure classification

Exact mass (Da)1062.3486Predicted LogP-14.3589
Predicted TPSA (Ų)524.59H-bond donors20
H-bond acceptors33Rotatable bonds16
Ring count7Aromatic rings0
Fraction Csp³1.0Synthetic accessibility score6.39
QED score0.068Lipinski rule violations3
NPClassifier pathwayCarbohydratesNPClassifier superclassSaccharides
NPClassifier classPolysaccharidesParent SMILESOCC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C1O
Parent formulaC39H66O33Parent molecular weight1062.924
Specified stereocenters0Unspecified stereocenters32

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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