Structure Database (LMSD)

Common Name
Lanceolitol B7
Systematic Name
D-myo-inositol-2-O-eicosanoyl-1-O-β-D-glucopyranoside
Synonyms
LM ID
LMFA13000014
Formula
C32H60O12
Exact Mass
Calculate m/z
636.408481
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)
WTFWLQSLGMCEJJ-IFCHATMTSA-N
InChi (Click to copy)
InChI=1S/C32H60O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(34)43-30-27(39)25(37)26(38)28(40)31(30)44-32-29(41)24(36)23(35)21(20-33)42-32/h21,23-33,35-41H,2-20H2,1H3/t21-,23-,24+,25+,26+,27-,28-,29-,30-,31+,32+/m1/s1
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCCCCCCCC)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
101746972

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 2
Aromatic Rings
Rotatable Bonds 23
Van der Waals Molecular Volume 640.28
Topological Polar Surface Area 208.67
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 5.02
Molar Refractivity 167.45

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