 Home > Encyclopedia > 1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione

1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione

1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione structure

CAS No:
137162-02-8
Formula:
C27H30O14
Chemical Name:
1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione
Synonyms:
1,6,8-TMARG;1,6,8-trihydroxy-3-methylanthraquinone 1-O-rhamnosyl(1-2)glucoside;137162-02-8;1,6,8-Trihydroxy-3-methylanthraquinone 1-O-rhamnosyl(1-2)glucoside;1,6,8-Tmarg;DTXSID60160093;6,8-Dihydroxy-3-methyl-1-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)anthracene-9,10-dione;9,10-Anthracenedione, 1-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-6,8-dihydroxy-3-methyl-

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1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione Basic Attributes

Molecular Weight：

578.5 g/mol

Exact Mass：

578.16355563 g/mol

DSSTox ID：

DTXSID60160093

Characteristics

PSA：

233 Å²

Drug Information

MeSH Entry Terms：

1,6,8-TMARG

Computed Properties

Molecular Weight:578.5
XLogP3:-0.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:5
Exact Mass:578.16355563
Monoisotopic Mass:578.16355563
Topological Polar Surface Area:233
Heavy Atom Count:41
Complexity:964
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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