Structure Database (LMSD)
Common Name
Astaxanthin glucoside
Systematic Name
Synonyms
3D model of Astaxanthin 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)
RPOTZDWYDMWJPW-OGMIEYOFSA-N
InChi (Click to copy)
InChI=1S/C46H62O9/c1-28(17-13-19-30(3)21-23-34-32(5)39(49)36(48)25-45(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)40(50)37(26-46(35,9)10)54-44-43(53)42(52)41(51)38(27-47)55-44/h11-24,36-38,41-44,47-48,51-53H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/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/C2=C(C)C(=O)[C@@H](O)CC2(C)C)=C(C)C(=O)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Agrobacterium aurantiacum
(#44155)
Alphaproteobacteria
(#28211)
New Carotenoid Glucosides, Astaxanthin Glucoside and Adonixanthin Glucoside, Isolation from the Astaxanthin-Producing Marine Bacterium Agrobacterium aurantiacum,
J Nat Prod, 1995
J Nat Prod, 1995
DOI:
10.1021/np50126a022
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
3
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
812.07
Topological Polar Surface Area
155.82
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
9
logP
9.02
Molar Refractivity
221.66
Admin
Created at
-
Updated at
13th Sep 2021