Structure Database (LMSD)
Common Name
Diapolycopenedioic acid diglucosyl ester
Systematic Name
4,4'-Di(β-D-glucopyranosyl)-4,4'-diapo-psi,psi-carotene-4,4'-dioate
Synonyms
3D model of Diapolycopenedioic acid diglucosyl ester
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)
ZVGZSPSYISRPRS-OKRWTFKHSA-N
InChi (Click to copy)
InChI=1S/C42H56O14/c1-25(15-9-17-27(3)19-11-21-29(5)39(51)55-41-37(49)35(47)33(45)31(23-43)53-41)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)40(52)56-42-38(50)36(48)34(46)32(24-44)54-42/h7-22,31-38,41-50H,23-24H2,1-6H3/b8-7+,15-9+,16-10+,19-11+,20-12+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+/t31-,32-,33-,34-,35+,36+,37-,38-,41+,42+/m1/s1
SMILES (Click to copy)
C(/C=C(\C)/C(=O)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=C\C=C(/C)\C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
56
Rings
2
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
799.18
Topological Polar Surface Area
237.04
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
5.56
Molar Refractivity
214.06
Admin
Created at
17th Nov 2021
Updated at
19th Nov 2021