2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]oxy-3-methyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
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2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]oxy-3-methyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
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CAS No:
108073-65-0
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Formula:
C31H47NO9
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Chemical Name:
2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]oxy-3-methyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
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Synonyms:
Glucopiericidin A;
- Categories:
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CAS No:
2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]oxy-3-methyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one Basic Attributes
577.70600
577.32508208
Computed Properties
Molecular Weight:577.7
XLogP3:4.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:577.32508208
Monoisotopic Mass:577.32508208
Topological Polar Surface Area:147
Heavy Atom Count:41
Complexity:1100
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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