Structure Database (LMSD)

Common Name
Lanceolitol B6
Systematic Name
D-myo-inositol-2-O-16-methylheptadecanoyl-1-O-β-D-glucopyranoside
Synonyms
LM ID
LMFA13000013
Formula
C30H56O12
Exact Mass
Calculate m/z
608.377181
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)
WLYICPDNPZKSFD-CMABURSYSA-N
InChi (Click to copy)
InChI=1S/C30H56O12/c1-18(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(32)41-28-25(37)23(35)24(36)26(38)29(28)42-30-27(39)22(34)21(33)19(17-31)40-30/h18-19,21-31,33-39H,3-17H2,1-2H3/t19-,21-,22+,23+,24+,25-,26-,27-,28-,29+,30+/m1/s1
SMILES (Click to copy)
C(=O)(CCCCCCCCCCCCCCC(C)C)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
101746971

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings
Rotatable Bonds 20
Van der Waals Molecular Volume 605.68
Topological Polar Surface Area 208.67
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 4.09
Molar Refractivity 158.15

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