centaurein
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centaurein
structure -
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CAS No:
35595-03-0
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Formula:
C24H26O13
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Chemical Name:
centaurein
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Synonyms:
centaurein;2-(3-Hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4-oxo-5-hydroxy-4H-1-benzopyran-7-yl β-D-glucopyranoside;3,6,4'-Trimethoxy-5,3'-dihydroxy-7-(β-D-glucopyranosyloxy)flavone;7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one;CENTAUREIN(RG)
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CAS No:
Computed Properties
Molecular Weight:522.5
XLogP3:1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:522.13734088
Monoisotopic Mass:522.13734088
Topological Polar Surface Area:194
Heavy Atom Count:37
Complexity:836
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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