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Chemical structure of 6-O-α-Maltosyl-β-cyclodextrin

GC35183

6-O-α-Maltosyl-β-cyclodextrin

Also known as (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-10-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

6-O-α-Maltosyl-β-cyclodextrin is a cellular cholesterol modifier which can form soluble inclusion complex with cholesterol

ChemicalCAS104723-60-6MW1459.27FormulaC54H90O45
CAS number
104723-60-6
Molecular weight
1459.27
Formula
C54H90O45
Solubility
DMSO： ≥ 100 mg/mL (68·53 mM); Water： ≥ 60·5 mg/mL (41·46 mM)
InChIKey
QFSFPJHBIGWPMD-FXWIDUTLSA-N
Catalogue number
GC35183
Brand
GLPBIO
Computed properties PubChem CID 15608646 · XLogP -18.8 · TPSA 712 Ų · H-bond donors 27
XLogP
-18.8
TPSA
712 Ų
H-bond donors
27
H-bond acceptors
45
Rotatable bonds
13
Heavy atoms
99

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)OC[C@@H]3[C@@H]4[C@@H]([C@H]([C@H](O3)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@H](O4)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)CO)O)O)CO)O)O)O)O

Computed descriptors from PubChem (CID 15608646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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