Structure Database (LMSD)
Common Name
Oscillol 2,2'-dirhamnoside
Systematic Name
2,2'-Di-(α-L-Rhamnosyloxy)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
3D model of Oscillol 2,2'-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)
ZYYNEJWFGGVJQZ-KEBIVUSLSA-N
InChi (Click to copy)
InChI=1S/C52H76O12/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-41(51(9,10)59)63-49-47(57)45(55)43(53)39(7)61-49)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-42(52(11,12)60)64-50-48(58)46(56)44(54)40(8)62-50/h13-32,39-50,53-60H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-/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\[C@H](O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(C)(O)C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gemmatimonas aurantiaca T-27
(#379066)
Gemmatimonadetes
(#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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
64
Rings
2
Aromatic Rings
Rotatable Bonds
20
Van der Waals Molecular Volume
954.60
Topological Polar Surface Area
202.90
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
12
logP
10.53
Molar Refractivity
260.74
Admin
Created at
17th Nov 2021
Updated at
23rd Nov 2021