Structure Database (LMSD)
Common Name
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid
Systematic Name
2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid
Synonyms
3D model of 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Lichtheimia corymbifera
(#42458)
Mucoromycetes
(#2212703)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Lipids, 2004
Pubmed ID:
15691016
String Representations
InChiKey (Click to copy)
VQTFDTKIJODNDR-YPHASOGJSA-N
InChi (Click to copy)
InChI=1S/C25H46O14/c1-2-3-4-5-6-7-8-9-10-13(27)22(23(34)35)39-25-21(33)19(31)17(29)15(38-25)12-36-24-20(32)18(30)16(28)14(11-26)37-24/h13-22,24-33H,2-12H2,1H3,(H,34,35)/t13-,14-,15-,16+,17+,18+,19+,20-,21-,22+,24-,25+/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)O1)[C@@H]([C@H](O)CCCCCCCCCC)C(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
2
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
536.76
Topological Polar Surface Area
240.20
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
14
logP
1.98
Molar Refractivity
139.27
Admin
Created at
-
Updated at
11th May 2021