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
Classification
Category
Main Class
Sub Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gemmatimonas aurantiaca T-27
(#379066)
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)
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
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