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
LM ID
LMPR01070451
Formula
Exact Mass
Calculate m/z
730.480855
Status
Active

Classification

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
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

PubChem CID
Carotenoid ID

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

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Created at
17th Nov 2021
Updated at
22nd Nov 2021