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Entry
CA00945                                                            

Classification
Carotenoid Name
Oscillol 2,2'-dirhamnoside;
(2S,2'S)-Oscillol 2,2'-di-(alpha-L-rhamnoside)
IUPAC name 2,2'-Di-(alpha-L-Rhamnosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Formula
C52H76O12
Molecular Weight 
893.128 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00127, CA00964, CA00384
  • InChI
    InChI=1S/C52H76O12/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-41(51(9,10)59)63-49-47(57)45(55)43(53)39(7)61-49)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-42(52(11,12)60)64-50-48(58)46(56)44(54)40(8)62-50/h13-32,39-50,53-60H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-/m0/s1
    InChIKey
    ZYYNEJWFGGVJQZ-KEBIVUSLSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\[C@@H](C(O)(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](C(O)(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)\C)\C
    XLogP
    9.382
    Hydrogen Bond donors
    (Lipinski's definition)
    8
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    12
    LipinskiFailures
    4
    Complexity of molecule
    0.300
    Number of heavy atoms
    64
    TPSA
    (Topological Polar Surface Area) 
    198.760 Å2
    Source organisms
    Gemmatimonas aurantiaca (Ref.194, Ref.348) - Gemmatimonadetes
    References
  • Ref.194 : Shinichi Takaichi, Takashi Maoka, Kazuto Takasaki and Satoshi Hanada, Microbiology (2010), 156, 757–763, "Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): identification of a novel carotenoid, deoxyoscillol 2 rhamnoside,and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside".
  • Ref.348 : Takaichi, Shinichi; Maoka, Takashi; Takasaki, Kazuto; Hanada, Satoshi, Microbiology (Reading, United Kingdom) (2010), 156(3), 757-763., "Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): Identification of a novel carotenoid, deoxyoscillol 2-rhamnoside, and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside".
  • CAS
    1283152-43-1
    Links to other DB
    ProCarDB: C1686

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