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1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone structure

CAS No:
149561-88-6
Formula:
C14H18O8
Chemical Name:
1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Synonyms:
2-O-glucosyl-4-hydroxyacetophenone;bungeiside B;bungeiside-B;Bungeiside B;149561-88-6;1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone;Bungeiside-B;2-O-Glucosyl-4-hydroxyacetophenone;1-(2-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl)ethanone;DTXSID40164337;Ethanone, 1-(2-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-

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1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone Basic Attributes

Molecular Weight：

314.29 g/mol

Exact Mass：

314.10016753 g/mol

DSSTox ID：

DTXSID40164337

Characteristics

PSA：

137 Å²

Drug Information

MeSH Entry Terms：

2-O-glucosyl-4-hydroxyacetophenone

Computed Properties

Molecular Weight:314.29
XLogP3:-1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:314.10016753
Monoisotopic Mass:314.10016753
Topological Polar Surface Area:137
Heavy Atom Count:22
Complexity:389
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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