Structure Database (LMSD)

HO OH OH O OH OH HO O O O
Common Name
(9Z)-Zeaxanthin dirhamnoside
Systematic Name
(9Z,3R,3'R)-3,3'-Di-(α-L-rhamnopyranosyloxy)-β,β-carotene
Synonyms
LM ID
LMPR01070699
Formula
C52H76O10
Exact Mass
Calculate m/z
860.54385
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BIAXCAJWQUJNIG-AFJGUVJSSA-N
InChi (Click to copy)
InChI=1S/C52H76O10/c1-31(19-15-21-33(3)23-25-41-35(5)27-39(29-51(41,9)10)61-49-47(57)45(55)43(53)37(7)59-49)17-13-14-18-32(2)20-16-22-34(4)24-26-42-36(6)28-40(30-52(42,11)12)62-50-48(58)46(56)44(54)38(8)60-50/h13-26,37-40,43-50,53-58H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21-,34-22+/t37-,38-,39+,40+,43-,44-,45+,46+,47+,48+,49+,50+/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\C2=C(C)C[C@@H](O[C@@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)CC2(C)C)=C(C)C[C@H]1O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharolobus shibatae (#2286)
Thermoprotei (#183924)
Isolation and Structure Elucidation of Carotenoid Glycosides from the Thermoacidophilic Archaea Sulfolobus shibatae,
J Nat Prod, 1997

Other Databases

PubChem CID
162907248
Carotenoid ID
CA00991

Calculated Physicochemical Properties

Heavy Atoms 62
Rings 4
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 917.58
Topological Polar Surface Area 162.44
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 11.69
Molar Refractivity 252.76

Admin

Created at
17th Nov 2021
Updated at
2nd Dec 2021