Beta-Glucan
(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Beta-Glucan
(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 439262
2D Structure
Properties
C18H32O16
Molecular Formula
504.40
Molecular Weight
g/mol
504.1690
Exact Mass
Da
-6.9
XLogP
Drug-like (Lipinski: < 5)
269
TPSA
May have limited oral absorption
11
H-Bond Donors
16
H-Bond Acceptors
641
Complexity
SMILES
Canonical SMILES
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)OIsomeric SMILES
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)OSynonyms(20)
beta-Glucan(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-((2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-((2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:119378GlyTouCan:G26190RCDTXSID501019881G26190RC801-082-8beta-D-Glucan9041-22-9Epiglucanbeta-Glucansbeta-Glucosylglucanbeta-D-Glucan from barleyb-D-glucan-from oat
Data from PubChem (NCBI)
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Drug Network
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