Structure Database (LMSD)
Common Name
Adonixanthin 3'-beta-D-glucoside
Systematic Name
Synonyms
- Adonixanthin 3'-glucoside
3D model of Adonixanthin 3'-beta-D-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)
QIEGUUNVEUEFPY-RWAFDYDPSA-N
InChi (Click to copy)
InChI=1S/C46H64O8/c1-29(15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(48)27-46(37,9)10)17-13-19-31(3)21-23-36-33(5)25-35(26-45(36,7)8)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39-,41-,42+,43-,44-/m1/s1
SMILES (Click to copy)
[C@H]1(CC(=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)CC2(C)C)C)\C)/C)C(C)(C1)C)C)O[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
synthetic construct
(#32630)
Production of new carotenoids, astaxanthin glucosides, by Escherichia coli transformants carrying carotenoid biosynthesis genes,
Tetrahedron Letts, 1998
Tetrahedron Letts, 1998
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
3
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
805.92
Topological Polar Surface Area
138.75
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
9.84
Molar Refractivity
221.27
Admin
Created at
-
Updated at
13th Sep 2021