Octyl 4-O-Beta-D-Allopyranosyl-1-Thio-Beta-D-Altropyranoside
(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-octylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Octyl 4-O-Beta-D-Allopyranosyl-1-Thio-Beta-D-Altropyranoside
(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-octylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 86290234
2D Structure
Properties
C20H38O10S
Molecular Formula
470.60
Molecular Weight
g/mol
470.2186
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
195
TPSA
May have limited oral absorption
7
H-Bond Donors
11
H-Bond Acceptors
501
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)OIsomeric SMILES
SMILES: CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)OSynonyms(4)
Octyl 4-O-Beta-D-Allopyranosyl-1-Thio-Beta-D-AltropyranosideN-BETA-OCTYL-THIO-MALTOSIDEQ27464158OOC
Data from PubChem (NCBI)
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Molecular Structure
Octyl 4-O-Beta-D-Allopyranosyl-1-Thio-Beta-D-Altropyranoside
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Drug Network
Trials and conditions connected to Octyl 4-O-Beta-D-Allopyranosyl-1-Thio-Beta-D-Altropyranoside
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