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Entry
CA00904                                                            
Classification
Carotenoid Name
Crocetin gentiobiosyl neapolitanosyl ester
IUPAC name 8-beta-Gentiobiosyl-8'-beta-neapolitanosyl 8,8'-diapocarotene-8,8'-dioate
Formula
C50H74O29
Molecular Weight 
1139.092 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including two carboxylic acid neapolitanosyl esters (9 in total)
Number of
conjugated multiple bonds 
9 including two carboxylic acid neapolitanosyl esters (9 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
-2.751
Hydrogen Bond donors
(Lipinski's definition)
17
Hydrogen Bond Acceptors
(Lipinski's definition)
29
LipinskiFailures
3
Complexity of molecule
0.346
Number of heavy atoms
79
TPSA
(Topological Polar Surface Area) 
470.350 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Crocus neapolitanus  - Land plant: croccus (Streptophyta - Iridaceae)
References

CAS
90332-59-5
Links to other DB

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