 Home > Encyclopedia > (3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

(3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

(3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one structure

CAS No:
161161-66-6
Formula:
C28H36O12
Chemical Name:
(3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
Synonyms:
hydramacroside A;Hydramacroside A;161161-66-6;DTXSID20936458;(3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one;5-Ethenyl-3-[4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside

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(3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one Basic Attributes

Molecular Weight：

564.6 g/mol

Exact Mass：

564.22067658 g/mol

Characteristics

PSA：

192 Å²

Drug Information

MeSH Entry Terms：

hydramacroside A

Computed Properties

Molecular Weight:564.6
XLogP3:0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:564.22067658
Monoisotopic Mass:564.22067658
Topological Polar Surface Area:192
Heavy Atom Count:40
Complexity:915
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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