Structure Database (LMSD)
Common Name
Astaxanthin diglucoside
Systematic Name
(3S,3'S)-3,3'-Di(β-D-glucopyranosyloxy)-β,β-carotene-4,4'-dione
Synonyms
- Astaxanthin beta-D-diglucoside
3D model of Astaxanthin diglucoside
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)
OGSBMKNVQQESGO-NYBDDSGTSA-N
InChi (Click to copy)
InChI=1S/C52H72O14/c1-29(17-13-19-31(3)21-23-35-33(5)41(55)37(25-51(35,7)8)63-49-47(61)45(59)43(57)39(27-53)65-49)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)42(56)38(26-52(36,9)10)64-50-48(62)46(60)44(58)40(28-54)66-50/h11-24,37-40,43-50,53-54,57-62H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-,39+,40+,43+,44+,45-,46-,47+,48+,49+,50+/m0/s1
SMILES (Click to copy)
[C@@H]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)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(=O)[C@@H](O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)CC2(C)C)C)\C)/C)C(C)(C1)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
66
Rings
4
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
947.46
Topological Polar Surface Area
237.04
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
8.56
Molar Refractivity
257.34
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Created at
-
Updated at
5th Oct 2022