Structure Database (LMSD)
Common Name
1-Hexosyl-1,2-dihydro-3,4-didehydroapo-8'-lycopenol
Systematic Name
1-Mannosyloxy-3,4-didehydro-1,2-dihydro-8'-apo-psi-caroten-8'-ol
Synonyms
3D model of 1-Hexosyl-1,2-dihydro-3,4-didehydroapo-8'-lycopenol
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
Level 4 Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unidentified
(#32644)
Imported from Carotenoids DB http://carotenoiddb.jp/
String Representations
InChiKey (Click to copy)
YTGUIAOQSPZCKW-QFQZUQSPSA-N
InChi (Click to copy)
InChI=1S/C36H52O7/c1-26(14-8-9-15-27(2)20-12-21-30(5)24-37)16-10-17-28(3)18-11-19-29(4)22-13-23-36(6,7)43-35-34(41)33(40)32(39)31(25-38)42-35/h8-22,31-35,37-41H,23-25H2,1-7H3/b9-8+,16-10+,18-11+,20-12+,22-13+,26-14+,27-15+,28-17+,29-19+,30-21+/t31-,32-,33+,34+,35+/m1/s1
SMILES (Click to copy)
C(/C=C(\C)/C=C/CC(C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
1
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
654.13
Topological Polar Surface Area
121.68
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
7.76
Molar Refractivity
179.17
Admin
Created at
17th Nov 2021
Updated at
19th Nov 2021