4-dimethylcaffeoylmussatioside
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4-dimethylcaffeoylmussatioside
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CAS No:
122279-91-8
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Formula:
C36H48O18
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Chemical Name:
4-dimethylcaffeoylmussatioside
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Synonyms:
4-dimethylcaffeoylmussatioside;MeCM;[(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate;beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-4-O-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-alpha-L-mannopyranosyl-(1-6)-
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CAS No:
Computed Properties
Molecular Weight:768.8
XLogP3:-1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:15
Exact Mass:768.28406468
Monoisotopic Mass:768.28406468
Topological Polar Surface Area:262
Heavy Atom Count:54
Complexity:1170
Defined Atom Stereocenter Count:14
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes