Structure Database (LMSD)
Common Name
Thermozeaxanthin-15
Systematic Name
(3R,3'R)-3'-[(6-O-13-Methyltetradecanoyl-b-D-glucopyranosyl)oxy]-β,β-caroten-3-ol
Synonyms
- Zeaxanthin glucoside ester
3D model of Thermozeaxanthin-15
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)
GUHDWRQBJQZYHJ-UXVUJNRNSA-N
InChi (Click to copy)
InChI=1S/C61H94O8/c1-43(2)26-20-18-16-14-13-15-17-19-21-33-55(63)67-42-54-56(64)57(65)58(66)59(69-54)68-51-39-49(8)53(61(11,12)41-51)37-35-47(6)32-25-30-45(4)28-23-22-27-44(3)29-24-31-46(5)34-36-52-48(7)38-50(62)40-60(52,9)10/h22-25,27-32,34-37,43,50-51,54,56-59,62,64-66H,13-21,26,33,38-42H2,1-12H3/b23-22+,29-24+,30-25+,36-34+,37-35+,44-27+,45-28+,46-31+,47-32+/t50-,51-,54-,56-,57+,58-,59-/m1/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)CC2(C)C)=C(C)C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCCCC(C)C)O1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Thermus thermophilus
(#274)
Deinococci
(#188787)
Thermozeaxanthins, New Carotenoid-glycoside-esters from Thermophilic Eubacterium Thermus thermophilus,
Tetrahedron Letts, 1995
Tetrahedron Letts, 1995
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
69
Rings
3
Aromatic Rings
Rotatable Bonds
27
Van der Waals Molecular Volume
1065.42
Topological Polar Surface Area
127.75
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
8
logP
16.16
Molar Refractivity
290.38
Admin
Created at
17th Nov 2021
Updated at
14th Dec 2023