Digoxigenin-beta-tetraacetyl-D-glucoside

[(3R,6R)-3,4,5-triacetyloxy-6-[[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate

CAS: 79317-29-6

Molecular Formula	`C37H52O14`
Molecular Weight	720.8 g/mol
LogP	1.3
Topological Polar Surface Area	190.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	12
Exact Mass	720.3357
Heavy Atoms	51
Complexity	1440.0

Chemical Identifiers

CAS Number	79317-29-6
SMILES	`CC(=O)OCC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC(=O)C)OC(=O)C)OC(=O)C`
InChIKey	`VYLIHPCLJRTEJQ-PMGSRBAGSA-N`

📖 Product Overview

Digoxigenin-beta-tetraacetyl-D-glucoside (CAS: 79317-29-6) is a chemical compound with molecular formula C37H52O14 and molecular weight 720.8 g/mol. Its IUPAC systematic name is [(3R,6R)-3,4,5-triacetyloxy-6-[[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate. LogP 1.3 Topological Polar Surface Area 190.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 14 Rotatable Bonds 12 Exact Mass 720.3357 Heavy Atoms 51 Complexity 1440.0 InChI Key: VYLIHPCLJRTEJQ-PMGSRBAGSA-N. SMILES: CC(=O)OCC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC(=O)C)OC(=O)C)OC(=O)C.

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