(4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
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(4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
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CAS No:
161161-67-7
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Formula:
C30H38O13
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Chemical Name:
(4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
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Synonyms:
hydramacroside B;Hydramacroside B;161161-67-7;DTXSID80936459;(4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione;5-Ethenyl-3-[4-hydroxy-8-(4-hydroxyphenyl)-2,6-dioxooctyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside
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CAS No:
(4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione Basic Attributes
606.6 g/mol
606.23124126 g/mol
Computed Properties
Molecular Weight:606.6
XLogP3:-0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:606.23124126
Monoisotopic Mass:606.23124126
Topological Polar Surface Area:210
Heavy Atom Count:43
Complexity:1020
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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