Structure Database (LMSD)

Common Name
Lanceolitol A2
Systematic Name
D-myo-inositol-2-O-tetradecanoyl-1-O-β-D-xylopyranoside
Synonyms
LM ID
LMFA13000002
Formula
C25H46O11
Exact Mass
Calculate m/z
522.304016
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Other Fatty acyl glycosides [FA1300]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solanum lanceolatum (#329782)
Magnoliopsida (#3398)
Myo-inositol-derived glycolipids with anti-inflammatory activity from Solanum lanceolatum.,
J Nat Prod, 2005
Pubmed ID: 16038543

String Representations

InChiKey (Click to copy)
QJIXADDKHNEDBB-SYRWOSAESA-N
InChi (Click to copy)
InChI=1S/C25H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(27)35-23-20(31)18(29)19(30)21(32)24(23)36-25-22(33)17(28)15(26)14-34-25/h15,17-26,28-33H,2-14H2,1H3/t15-,17+,18+,19+,20-,21-,22-,23-,24+,25+/m1/s1
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCC)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1

Other Databases

PubChem CID
101746960

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 2
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 510.39
Topological Polar Surface Area 188.44
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 3.03
Molar Refractivity 133.23

Admin

Created at
17th Mar 2025
Updated at
17th Mar 2025