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Entry
CA00933                                                            
Classification
Carotenoid Name
C.p.450 glucoside
IUPAC name (2R,2'R)-2-[(4-beta-D-Glucopyranosyloxy)-3-methylbut-2-enyl]-2'-[(4-hydroxy)-3-methylbut-2-enyl]-beta,beta-carotene
Formula
C56H82O7
Molecular Weight 
867.216 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
13.596
Hydrogen Bond donors
(Lipinski's definition)
5
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.283
Number of heavy atoms
63
TPSA
(Topological Polar Surface Area) 
119.610 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Curtobacterium flaccumfaciens poinsettiae (Ref.224) - Actinobacteria (Actinobacteria - Microbacteriaceae)
References
  • Ref.224: Haberli, Adrian; Bircher, Christof; Pfander, Hanspeter, Helvetica Chimica Acta (2000), 83(2), 328-335., "Isolation of a new carotenoid and two new carotenoid glycosides from Curtobacterium flaccumfaciens pvar poinsettiae".
    • CAS
    267008-21-9
    Links to other DB
    KNApSAcK: C00023082

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