(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
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![(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e8381933cc974f50a99181a07e6b7666.png "(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol")
(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
structure -
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CAS No:
78808-77-2
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Formula:
C21H32O14
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Chemical Name:
(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
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Synonyms:
11-O-beta-Glucosyl decaloside;78808-77-2;beta-D-Glucopyranoside, 4-((beta-D-glucopyranosyloxy)methyl)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7aalpha))-
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CAS No:
(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol Basic Attributes
508.5 g/mol
508.17920569 g/mol
Computed Properties
Molecular Weight:508.5
XLogP3:-3.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:508.17920569
Monoisotopic Mass:508.17920569
Topological Polar Surface Area:228
Heavy Atom Count:35
Complexity:794
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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