3β-(β-D-Glucopyranosyloxy)urs-12-en-28-oic acid
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3β-(β-D-Glucopyranosyloxy)urs-12-en-28-oic acid
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CAS No:
14297-94-0
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Formula:
C36H58O8
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Chemical Name:
3β-(β-D-Glucopyranosyloxy)urs-12-en-28-oic acid
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Synonyms:
Empetroside A
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CAS No:
Computed Properties
Molecular Weight:618.8
XLogP3:5.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:618.41316880
Monoisotopic Mass:618.41316880
Topological Polar Surface Area:137
Heavy Atom Count:44
Complexity:1170
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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