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Carotenoids DB          Carotenoids DB: CA01211   
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Entry
CA01211                                                            
Classification
Carotenoid Name
(6S,9S)-Roseoside
IUPAC name (6S,9S)-9-glucopyranosyloxy-9-apo-epsilonn-caroten-3-one
Formula
C19H30O8
Molecular Weight 
386.43 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
2 including one ketone (2 in total)
Number of
conjugated multiple bonds 
2 including one ketone (2 in total)
Isomers 
  • Conformer: CA01209
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    -0.464
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    0
    Complexity of molecule
    0.281
    Number of heavy atoms
    27
    TPSA
    (Topological Polar Surface Area) 
    136.680 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Polygonum hydropiper (Ref.656) - Land plant: water-pepper (Streptophyta - Polygonaceae)
    References
  • Ref.656: Murai Y., Kashimura S., Tamezawa S., Hashimoto T., Takaoka S., Asakawa Y., Kiguchi K., Murai F., Tagawa M., Planta Med., 67, 480—481 (2001), "Absolute configuration of (6S, 9S)-roseoside from Polygonum hydropiper".
    • CAS

    Links to other DB

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