Desglucodigitonin

(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6S)-2-[(3S,4R,5'R,7S,8R,9S,13S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Desglucodigitonin|Digitonin, desgluco-|beta-D-Galactopyranoside, (2-alpha,3-beta,5-alpha,15-beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-

Molecular Formula	C50H82O24
Molecular Weight	1066.5197 g/mol
LogP	-4.7352
Topological Polar Surface Area	386.52 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	24
Rotatable Bonds	10
Exact Mass	1066.5197
Monoisotopic Mass	1066.5197
Heavy Atoms	74
Complexity	1929.9728

Chemical Identifiers

CAS Number	73205-29-5
SMILES	C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)[C@H](C4[C@@]3(CCC5C4CCC6[C@@]5(CC(C(C6)[C@@]7([C@@H]([C@H]([C@H]([C@@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)C)O)C)OC1