Cyclogentiotetraose peracetate

[(1R,4R,5R,6S,7R,8R,11R,12R,13S,14R,15R,18R,19R,20S,21R,22R,25R,26R,27S,28R)-6,7,12,13,14,19,20,21,26,27,28-undecaacetyloxy-2,9,16,23,29,30,31,32-octaoxapentacyclo[23.3.1.14,8.111,15.118,22]dotriacontan-5-yl] acetate

Also Known As: Cgd4Ac|Cyclogentiotetraose peracetate|GlyTouCan:G59811FP|G59811FP|[(1R,4R,5R,6S,7R,8R,11R,12R,13S,14R,15R,18R,19R,20S,21R,22R,25R,26R,27S,28R)-6,7,12,13,14,19,20,21,26,27,28-undecaacetyloxy-2,9,16,23,29,30,31,32-octaoxapentacyclo[23.3.1.14,8.111,15.118,22]dotriacontan-5-yl] acetate|beta-D-Glucopyranose, O-2,3,4-tri-O-acetyl-beta-D-glucopyranosyl-(1-6)-O-2,3,4-tri-O-acetyl-beta-D-glucopyranosyl-(1-6)-O-2,3,4-tri-O-acetyl-beta-D-glucopyranosyl-(1-6)-1,6'''-anhydro-, triacetate

Molecular Formula	C48H64O32
Molecular Weight	1152.338 g/mol
LogP	-1.7
Topological Polar Surface Area	389.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	32
Rotatable Bonds	24
Exact Mass	1152.338
Monoisotopic Mass	1152.338
Heavy Atoms	80
Complexity	1990.0

Chemical Identifiers

CAS Number	62098-50-4
SMILES	CC(=O)O[C@@H]1[C@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H](O2)[C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey	IKUIXYHLNKOZNO-IHBCRZMDSA-N