 Home > Encyclopedia > [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate structure

CAS No:
64977-89-5
Formula:
C26H40O8
Chemical Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Synonyms:
Glucosyl steviol;UNII-TKD5UC898Q;TKD5UC898Q;Steviol-?19-?O-?glucoside;64977-89-5;19-O-beta-glucopyranosyl-steviol;DTXSID40983540;HY-N6918;ZINC140302291;Kaur-16-en-18-oic acid, 13-hydroxy-, beta-D-glucopyranosyl ester, (4alpha)-;CS-0100579;Q27290001;1-O-(13-Hydroxy-18-oxokaur-16-en-18-yl)hexopyranose;13-Hydroxykaur-16-en-18-oic acid beta-D-glucopyranosyl ester;Kaur-16-en-18-oic acid,13-(b-D-glucopyranosyloxy)-, (4a)-;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate Basic Attributes

Molecular Weight：

480.6 g/mol

Exact Mass：

480.27231823 g/mol

UNII：

TKD5UC898Q

Characteristics

PSA：

137 Å²

Computed Properties

Molecular Weight:480.6
XLogP3:2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:480.27231823
Monoisotopic Mass:480.27231823
Topological Polar Surface Area:137
Heavy Atom Count:34
Complexity:862
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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