Structure Database (LMSD)
Common Name
Thermobiszeaxanthin-15-15
Systematic Name
(3R,3'R)-3,3'-Di[(6-O-13-methyltetradecanoyl-β-D-glucopyranosyl)oxy]-β,β-carotene
Synonyms
- Zeaxanthin diglucoside diester
3D model of Thermobiszeaxanthin-15-15
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
VVKAQZYKDOWNFD-PSXCMIFPSA-N
InChi (Click to copy)
InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79-,80-/m1/s1
SMILES (Click to copy)
C1(/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](COC(=O)CCCCCCCCCCCC(C)C)O3)C[C@@]2(C)C)=C(C)C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CCCCCCCCCCCC(C)C)=O)O2)C[C@@]1(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
96
Rings
4
Aromatic Rings
0
Rotatable Bonds
44
Van der Waals Molecular Volume
1466.46
Topological Polar Surface Area
215.04
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
14
logP
21.20
Molar Refractivity
395.56
Admin
Created at
-
Updated at
18th Jan 2022