[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside
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[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside
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CAS No:
53962-20-2
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Formula:
C21H34O11
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Chemical Name:
[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside
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Synonyms:
β-D-Glucopyranoside,[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl;β-D-Glucopyranoside,[1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl,[1S-(1α,4aα,6α,7α,7aα)]-;[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside;Patrinoside
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CAS No:
[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside Basic Attributes
462.5 g/mol
462.49
59436L0YS2
Computed Properties
Molecular Weight:462.5
XLogP3:-1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:462.21011190
Monoisotopic Mass:462.21011190
Topological Polar Surface Area:175
Heavy Atom Count:32
Complexity:668
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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