Structure Database (LMSD)

Common Name
Lanceolitol B2
Systematic Name
D-myo-inositol-2-O-tetradecanoyl-1-O-β-D-glucopyranoside
Synonyms
LM ID
LMFA13000009
Formula
C26H48O12
Exact Mass
Calculate m/z
552.314581
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)
OLMGDQBWWACJOE-GYBWIQLGSA-N
InChi (Click to copy)
InChI=1S/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(28)37-24-21(33)19(31)20(32)22(34)25(24)38-26-23(35)18(30)17(29)15(14-27)36-26/h15,17-27,29-35H,2-14H2,1H3/t15-,17-,18+,19+,20+,21-,22-,23-,24-,25+,26+/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)[C@@H](CO)O1

Other Databases

PubChem CID
101746967

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 2
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 536.48
Topological Polar Surface Area 208.67
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.68
Molar Refractivity 139.75

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