Structure Database (LMSD)
Common Name
1',2'-Dihydro-3,1'-dihydroxytorulene glucoside
Systematic Name
1'-Glucosyloxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-3-ol
Synonyms
3D model of 1',2'-Dihydro-3,1'-dihydroxytorulene 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)
RPYWOLOXAHTZJG-RFFSVHAKSA-N
InChi (Click to copy)
InChI=1S/C46H66O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-27-39-37(6)29-38(48)30-45(39,7)8)19-13-21-34(3)22-14-23-35(4)25-16-28-46(9,10)53-44-43(51)42(50)41(49)40(31-47)52-44/h11-27,38,40-44,47-51H,28-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t38?,40-,41-,42+,43-,44+/m1/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/C=C(\C)/C=C/CC(C)(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C)=C(C)CC1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sorangium cellulosum
(#56)
Deltaproteobacteria
(#28221)
Carotenoid pigments of Sorangium compositum (Myxobacterales) including two new carotenoid glucoside esters and two new carotenoid rhamnosides.,
Arch Mikrobiol, 1971
Arch Mikrobiol, 1971
Pubmed ID:
5099150
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
2
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
809.49
Topological Polar Surface Area
121.68
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
10.83
Molar Refractivity
222.97
Admin
Created at
17th Nov 2021
Updated at
26th Nov 2021