Structure Database (LMSD)

Common Name
Saproxanthin rhamnoside
Systematic Name
1'-Rhamnosyloxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-3-ol
Synonyms
LM ID
LMPR01070537
Formula
C46H66O6
Exact Mass
Calculate m/z
714.48594
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sorangium cellulosum (#56)
Carotenoid pigments of Sorangium compositum (Myxobacterales) including two new carotenoid glucoside esters and two new carotenoid rhamnosides.,
Arch Mikrobiol, 1971
Pubmed ID: 5099150

String Representations

InChiKey (Click to copy)
OSSWTAMSLURNPU-DOZIFYCASA-N
InChi (Click to copy)
InChI=1S/C46H66O6/c1-32(18-12-13-19-33(2)21-16-25-36(5)27-28-40-37(6)30-39(47)31-45(40,8)9)20-14-22-34(3)23-15-24-35(4)26-17-29-46(10,11)52-44-43(50)42(49)41(48)38(7)51-44/h12-28,38-39,41-44,47-50H,29-31H2,1-11H3/b13-12+,20-14+,21-16+,23-15+,26-17+,28-27+,32-18+,33-19+,34-22+,35-24+,36-25+/t38-,39?,41-,42+,43+,44+/m0/s1
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C)=C(C)CC1O

Other Databases

PubChem CID
163057280
Carotenoid ID
CA00214

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 2
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 800.70
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.57
Molar Refractivity 221.07

Admin

Created at
17th Nov 2021
Updated at
26th Nov 2021