120416-05-9
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120416-05-9
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CAS No:
120416-05-9
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Formula:
C27H38O14
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Chemical Name:
120416-05-9
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Synonyms:
Laciniatoside V;120416-05-9;methyl (1R,4aS,6S,7R,7aS)-1-hydroxy-6-(((2S,3R,4S)-4-(2-hydroxyethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonyl)oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate;DTXSID30923394;methyl (1R,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-3-ethenyl-4-(2-hydroxyethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate;Methyl 6-{[3-ethenyl-2-(hexopyranosyloxy)-4-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-5-carbonyl]oxy}-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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CAS No:
Computed Properties
Molecular Weight:586.6
XLogP3:-0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:586.22615588
Monoisotopic Mass:586.22615588
Topological Polar Surface Area:211
Heavy Atom Count:41
Complexity:1030
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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