 Home > Encyclopedia > 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one

6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one

6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one structure

CAS No:
78415-48-2
Formula:
C21H30O8
Chemical Name:
6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one
Synonyms:
onitinoside;78415-48-2;Onitinoside;DTXSID90999752;1H-Inden-1-one, 4-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-;6-(2-Hydroxyethyl)-2,2,5,7-tetramethyl-1-oxo-2,3-dihydro-1H-inden-4-yl hexopyranoside

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6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one Basic Attributes

Molecular Weight：

410.5 g/mol

Exact Mass：

410.19406791 g/mol

Characteristics

PSA：

137 Å²

Drug Information

MeSH Entry Terms：

onitinoside

Computed Properties

Molecular Weight:410.5
XLogP3:0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:410.19406791
Monoisotopic Mass:410.19406791
Topological Polar Surface Area:137
Heavy Atom Count:29
Complexity:595
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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