Structure Database (LMSD)
Common Name
(9Z)-Zeaxanthin-3'-Rhamnoside
Systematic Name
(9Z,3R,3'R)-3'-(α-L-rhamnopyranosyloxy)-β,β-carotene-3-ol
Synonyms
3D model of (9Z)-Zeaxanthin-3'-Rhamnoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PNUMJYSPLIEPOC-PZXJBJKVSA-N
InChi (Click to copy)
InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21-/t36-,37+,38+,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\C2C(C)(C)C[C@H](O)CC=2C)=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
J Nat Prod, 1997
DOI:
10.1021/np960584b
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
3
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
790.98
Topological Polar Surface Area
101.45
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
11.40
Molar Refractivity
218.98
Admin
Created at
17th Nov 2021
Updated at
2nd Dec 2021