methyl 3-ethenyl-4-[[6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
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methyl 3-ethenyl-4-[[6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
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CAS No:
74474-42-3
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Formula:
C31H40O13
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Chemical Name:
methyl 3-ethenyl-4-[[6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
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Synonyms:
HYDRANGENOISDE A;Hydrangenoside A;74474-42-3;MLS000863591;MEGxp0_001323;CHEMBL1606388;ACon0_000916;ACon1_001114;DTXSID60331069;HMS2269B15;NSC360033;NSC-360033;NCGC00169664-01;SMR000440695;BRD-A48195961-001-01-4
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CAS No:
methyl 3-ethenyl-4-[[6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Basic Attributes
620.6 g/mol
620.24689133 g/mol
360033
DTXSID60331069
Computed Properties
Molecular Weight:620.6
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:620.24689133
Monoisotopic Mass:620.24689133
Topological Polar Surface Area:199
Heavy Atom Count:44
Complexity:1040
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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