Structure Database (LMSD)
Common Name
Cryptoxanthin glucoside
Systematic Name
(3R)-3-(β-D-Glucopyranosyloxy)-β,β-carotene
Synonyms
3D model of Cryptoxanthin glucoside
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)
ZHJIWERYMKQKHH-XFNMZINASA-N
InChi (Click to copy)
InChI=1S/C46H66O6/c1-31(18-13-20-33(3)23-25-38-35(5)22-15-27-45(38,7)8)16-11-12-17-32(2)19-14-21-34(4)24-26-39-36(6)28-37(29-46(39,9)10)51-44-43(50)42(49)41(48)40(30-47)52-44/h11-14,16-21,23-26,37,40-44,47-50H,15,22,27-30H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,31-16+,32-17+,33-20+,34-21+/t37-,40-,41-,42+,43-,44-/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)CCCC2(C)C)=C(C)C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)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
52
Rings
3
Aromatic Rings
Rotatable Bonds
13
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