(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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CAS No:
64421-27-8
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Formula:
C17H26O10
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Chemical Name:
(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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Synonyms:
(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester;Mussaenoside;Mussaeside;Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-,methyl ester, (1S,4aS,7S,7aS)-
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CAS No:
(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester Basic Attributes
390.38200
390.152588
Computed Properties
Molecular Weight:390.4
XLogP3:-1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:390.15259702
Monoisotopic Mass:390.15259702
Topological Polar Surface Area:155
Heavy Atom Count:27
Complexity:594
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1S,7S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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