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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,5S,6S)-5-beta-D-glucopyranosyl-5,6-hydro-9-apo-beta-caroten-2,6,9-triol
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Formula |
C19H34O9
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Molecular Weight |
406.462 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(2R,5S,6S), 2-OH, 6-OH, 9-OH, 9-apo, beta, 5-b-Glc, 5,6+H
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
0
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Number of
conjugated multiple bonds |
0
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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 |
-0.771
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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 |
0.210
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| Number of heavy atoms |
28
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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 |
215048-14-9
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Links to other DB |
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