Octadecylthioethyl 4-O-(4-O[6-O-a-D-glucopyranosyl-a-D-glucopyranosyl]-a-D-glucopyranosyl)-b-D-glucopyranoside

Catalog	DGS90215013
CAS	90215-01-3
Structure
Synonyms	Octadecylthioethyl 6-a-D-glucopyranosyl maltotrioside
IUPAC Name	2-[[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(2-octadecylsulfanylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	979.18
Molecular Formula	C44H82O21S
InChI	InChI=1S/C44H82O21S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-66-20-18-58-41-37(56)33(52)39(26(22-46)61-41)65-44-38(57)34(53)40(27(23-47)62-44)64-43-36(55)32(51)30(49)28(63-43)24-59-42-35(54)31(50)29(48)25(21-45)60-42/h25-57H,2-24H2,1H3
InChI Key	LCVLXPYSKDKYEK-UHFFFAOYSA-N
Purity	≥95%
Appearance	White to off-white powder
Complexity	1270
Exact Mass	978.50693079
Formal Charge	0
Heavy Atom Count	66
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	13
Isomeric SMILES	CCCCCCCCCCCCCCCCCCSCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O
MDL Number	MFCD00133685
Monoisotopic Mass	978.50693079
Rotatable Bond Count	31
Storage Conditions	-20 °C
Topological Polar Surface Area	362 Ų
XLogP3-AA	1