Gypsoside
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Gypsoside
structure -
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CAS No:
15588-68-8
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Formula:
C80H126O44
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Chemical Name:
Gypsoside
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Synonyms:
D-Glucopyranosiduronic acid,(3β,4α)-23,28-dioxo-28-[(O-D-xylopyranosyl-(1→3)-O-6-deoxy-D-galactopyranosyl-(1→4)-O-[O-D-xylopyranosyl-(1→3)-D-xylopyranosyl-(1→2)]-6-deoxy-L-mannopyranosyl)oxy]olean-12-en-3-yl O-L-arabinopyranosyl-(1→3)-O-[O-D-galactopyranosyl-(1→4)-D-glucopyranosyl-(1→4)]-;Olean-12-en-28-oic acid,3β-[[O-L-arabinopyranosyl-(1→3)-O-[O-D-galactopyranosyl-(1→4)-D-glucopyranosyl-(1→4)]-D-glucopyranuronosyl]oxy]-23-oxo-,O-D-xylopyranosyl-(1→3)-O-6-deoxy-D-galactopyranosyl-(1→4)-O-[O-D-xylopyranosyl-(1→3)-D-xylopyranosyl-(1→2)]-6-deoxy-L-mannopyranosyl ester;Gypsoside;(3β,4α)-23,28-Dioxo-28-[(O-D-xylopyranosyl-(1→3)-O-6-deoxy-D-galactopyranosyl-(1→4)-O-[O-D-xylopyranosyl-(1→3)-D-xylopyranosyl-(1→2)]-6-deoxy-L-mannopyranosyl)oxy]olean-12-en-3-yl O-L-arabinopyranosyl-(1→3)-O-[O-D-galactopyranosyl-(1→4)-D-glucopyranosyl-(1→4)]-D-glucopyranosiduronic acid;Gipsoside;55818-92-3;890044-16-3
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CAS No:
Computed Properties
Molecular Weight:1791.8
XLogP3:-8
Hydrogen Bond Donor Count:23
Hydrogen Bond Acceptor Count:44
Rotatable Bond Count:23
Exact Mass:1790.7621973
Monoisotopic Mass:1790.7621973
Topological Polar Surface Area:683
Heavy Atom Count:124
Complexity:3670
Undefined Atom Stereocenter Count:50
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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