β-D-Glucopyranosiduronic acid, (3β,15α,16α,21β,22α)-15,16,21,22,28-pentahydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl- (9CI)
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β-D-Glucopyranosiduronic acid, (3β,15α,16α,21β,22α)-15,16,21,22,28-pentahydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl- (9CI)
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CAS No:
100578-09-4
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Formula:
C42H68O17
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Chemical Name:
β-D-Glucopyranosiduronic acid, (3β,15α,16α,21β,22α)-15,16,21,22,28-pentahydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl- (9CI)
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Synonyms:
Saniculoside A;100578-09-4;beta-D-Glucopyranosiduronic acid, (3beta,15alpha,16alpha,21beta,22alpha)-15,16,21,22,28-pentahydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
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CAS No:
β-D-Glucopyranosiduronic acid, (3β,15α,16α,21β,22α)-15,16,21,22,28-pentahydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl- (9CI) Basic Attributes
845.0 g/mol
844.44565070 g/mol
Computed Properties
Molecular Weight:845.0
XLogP3:0.7
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:7
Exact Mass:844.44565070
Monoisotopic Mass:844.44565070
Topological Polar Surface Area:297
Heavy Atom Count:59
Complexity:1620
Defined Atom Stereocenter Count:19
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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