Structure Database (LMSD)
Common Name
Deoxyoscillol 2-rhamnoside
Systematic Name
2-(α-L-Rhamnosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
3D model of Deoxyoscillol 2-rhamnoside
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
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gemmatimonas aurantiaca
(#173480)
Gemmatimonadia
(#219685)
Carotenoids of Gemmatimonas aurantiaca (Gemmatimonadetes): identification of a novel carotenoid, deoxyoscillol 2-rhamnoside, and proposed biosynthetic pathway of oscillol 2,2'-dirhamnoside.,
Microbiology (Reading), 2010
Microbiology (Reading), 2010
Pubmed ID:
19959572
String Representations
InChiKey (Click to copy)
LIHYAHCZKCBCHN-XOLSPTSOSA-N
InChi (Click to copy)
InChI=1S/C46H66O7/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-45(8,9)50)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-40(46(10,11)51)53-44-43(49)42(48)41(47)39(7)52-44/h12-31,39-44,47-51H,32H2,1-11H3/b13-12+,21-14+,22-15+,25-16+,26-17+,29-18+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41-,42+,43+,44-/m0/s1
SMILES (Click to copy)
C(/C=C(\C)/C=C/[C@H](O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(C)(O)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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
1
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
819.21
Topological Polar Surface Area
121.68
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
10.99
Molar Refractivity
225.06
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021