Structure Database (LMSD)
Common Name
Astaxanthin dirhamnoside
Systematic Name
(3S,3'S)-3,3'-Di(α-D-rhamnosyloxy)-β,β-carotene-4,4'-dione
Synonyms
3D model of Astaxanthin dirhamnoside
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)
TYEKXYGJOYFKNF-VRABBIOMSA-N
InChi (Click to copy)
InChI=1S/C50H68O14/c1-27(17-13-19-29(3)21-23-33-31(5)37(51)35(25-49(33,7)8)61-47-43(57)39(53)41(55)45(59)63-47)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(52)36(26-50(34,9)10)62-48-44(58)40(54)42(56)46(60)64-48/h11-24,35-36,39-48,53-60H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/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[C@@H]3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)O3)CC2(C)C)=C(C)C(=O)[C@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)O1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sphingomonas astaxanthinifaciens
(#407019)
Alphaproteobacteria
(#28211)
Astaxanthin dirhamnoside, a new astaxanthin derivative produced by a radio-tolerant bacterium, Sphingomonas astaxanthinifaciens.,
J Antibiot (Tokyo), 2009
J Antibiot (Tokyo), 2009
Pubmed ID:
19557030
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
64
Rings
4
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
912.86
Topological Polar Surface Area
237.04
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
7.91
Molar Refractivity
246.63
Admin
Created at
17th Nov 2021
Updated at
17th Dec 2021