pedicularioside
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pedicularioside
structure -
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CAS No:
81203-55-6
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Formula:
C17H26O11
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Chemical Name:
pedicularioside
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Synonyms:
pedicularioside;DTXSID601001841;methyl (1R,4aS,5S,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate;Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7beta,7aalpha))-;Methyl 1-(hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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CAS No:
Computed Properties
Molecular Weight:406.4
XLogP3:-1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:406.14751164
Monoisotopic Mass:406.14751164
Topological Polar Surface Area:175
Heavy Atom Count:28
Complexity:624
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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