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Chemical structure of Heptasaccharide Glc4Xyl3

GC36218

Heptasaccharide Glc4Xyl3

Also known as 5-[5-[3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

Heptasaccharide Glc4Xyl3, a covalent inhibitor of endo-xyloglucanases, is used for the identification and analysis of diverse xyloglucan-active enzymes in nature

ChemicalCAS121591-98-8MW1062.92FormulaC39H66O33
CAS number
121591-98-8
Molecular weight
1062.92
Formula
C39H66O33
Solubility
Soluble in DMSO
InChIKey
PZUPAGRIHCRVKN-UHFFFAOYSA-N
Catalogue number
GC36218
Brand
GLPBIO
Computed properties PubChem CID 44630346 · XLogP -14.2 · TPSA 525 Ų · H-bond donors 20
XLogP
-14.2
TPSA
525 Ų
H-bond donors
20
H-bond acceptors
33
Rotatable bonds
16
Heavy atoms
72

SMILES C1C(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

Computed descriptors from PubChem (CID 44630346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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