Structure Database (LMSD)
Common Name
Myxol glycoside/ (Myxoxanthophyll)
Systematic Name
Synonyms
3D model of Myxol glycoside/ (Myxoxanthophyll)
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)
VJHXSZGYVIKVEU-SKFWZKHZSA-N
InChi (Click to copy)
InChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40-,41-,42+,43-,44?/m1/s1
SMILES (Click to copy)
C1(=C(C)C[C@@H](O)CC1(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](OC1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C(C)(C)O
References
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
2
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
818.28
Topological Polar Surface Area
141.91
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
10.08
Molar Refractivity
224.87
Admin
Created at
-
Updated at
-