Epitheaflagallin 3-O-gallate
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Epitheaflagallin 3-O-gallate
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CAS No:
102067-92-5
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Formula:
C27H20O13
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Chemical Name:
Epitheaflagallin 3-O-gallate
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Synonyms:
Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(2,3,4,6-tetrahydroxy-5-oxo-5H-benzocyclohepten-8-yl)-2H-1-benzopyran-3-yl ester;Benzoic acid,3,4,5-trihydroxy-,3,4-dihydro-5,7-dihydroxy-2-(2,3,4,6-tetrahydroxy-5-oxo-5H-benzocyclohepten-8-yl)-2H-1-benzopyran-3-yl ester,(2R-cis)-;Epitheaflagallin 3-O-gallate
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CAS No:
Computed Properties
Molecular Weight:552.4
XLogP3:1.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:4
Exact Mass:552.09039069
Monoisotopic Mass:552.09039069
Topological Polar Surface Area:235
Heavy Atom Count:40
Complexity:1230
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of Epitheaflagallin 3-O-gallate
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