|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
(3S,3'S)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-carotene-4,4'-dione
|
|---|
|
Formula |
C46H62O9
|
|---|
|
Molecular Weight |
758.956 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
13 including two ketones (13 in total)
|
|---|
Number of
conjugated multiple bonds |
13 including two ketones (13 in total)
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
8.159
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
5
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
9
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.316
|
|---|
| Number of heavy atoms |
55
|
|---|
TPSA
(Topological Polar Surface Area) |
153.750 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
174024-81-8
|
|---|
|
Links to other DB |
|
|---|
|
