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Entry |
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Classification |
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Carotenoid Name
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Neorehmannioside;
neo-rehmannioside
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IUPAC name |
(2S,5R,6R)-5-beta-D-glucopyranosyl-5,6-hydro-11-apo-beta-caroten-2,611-triol
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Formula |
C21H36O9
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Molecular Weight |
432.498 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of
conjugated double bonds |
2
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Number of
conjugated multiple bonds |
2
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
-0.633
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Hydrogen Bond donors
(Lipinski's definition) |
7
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Hydrogen Bond Acceptors
(Lipinski's definition) |
9
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| LipinskiFailures |
1
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| Complexity of molecule |
0.197
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| Number of heavy atoms |
30
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TPSA
(Topological Polar Surface Area) |
160.070 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
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References |
Ref.172: Fu, Guang-Miao; Shi, She-Po; Ip, Fanny C. F.; Pang, Hai-Hong; Ip, Nancy Y.; Natural Product Research Volume25, Issue13, pp.1213-1218, 2011, CODEN:NPRAAT ISSN:1478-6419 DOI:10.1080/14786419.2010.5, "A new carotenoid glycoside from Rehmannia glutinosa".
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CAS |
1333387-64-6
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Links to other DB |
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