Structure Database (LMSD)
Common Name
4-Ketomyxol 2'-fucoside
Systematic Name
(3R,2'S)-3,1'-Hydroxy-2'-(α-L-Fucosyl)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-4-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 4-Ketomyxol 2'-fucoside
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)
GYSHFNPXXPCKGU-HSODLQDZSA-N
InChi (Click to copy)
InChI=1S/C46H64O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-28,36,38-39,41-44,47,49-52H,29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t36-,38-,39-,41+,42+,43-,44-/m0/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/[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O2)C(C)(O)C)=C(C)C(=O)[C@H]1O
References
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
2
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
815.64
Topological Polar Surface Area
138.75
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
10.01
Molar Refractivity
223.36
Admin
Created at
17th Nov 2021
Updated at
29th Nov 2021