GlyTouCan:G86956SE
(2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
GlyTouCan:G86956SE
(2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 24892726
Glucomannan is a heteroglycan consisting of beta-(14)-linked D-glucose (G) and D-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through beta-(13)- and beta-(16)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain. It has a role as a nutraceutical.
2D Structure
Properties
C24H42O21
Molecular Formula
666.60
Molecular Weight
g/mol
666.2219
Exact Mass
Da
-9
XLogP
Drug-like (Lipinski: < 5)
348
TPSA
May have limited oral absorption
14
H-Bond Donors
21
H-Bond Acceptors
918
Complexity
SMILES
Canonical SMILES
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)OIsomeric SMILES
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)O)OC4[C@H](O[C@H]([C@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)OSynonyms(11)
RefChem:767145GlyTouCan:G86956SEG86956SEGlucomannanGlucomannoglycan(Glucomannan)n(Glucomannan)n+1CHEBI:17020LUEWUZLMQUOBSB-FSKGGBMCSA-NNS00014338C01810
Data from PubChem (NCBI)
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