Structure database (LMSD)

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LM IDLMFA13010017
Common Name1-(O-α-D-glucopyranosyl)-(1,3R,29S,31R)-dotriacontanetetrol
Systematic Name1-(O-α-D-glucopyranosyl)-(1,3R,29S,31R)-dotriacontanetetrol
Synonyms-
Exact Mass
676.5489 (neutral)    Calculate m/z:
FormulaC38H76O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID42607351
InChIKeyQJUZTIGXFRDBDT-WBGXBLNRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H76O9/c1-31(40)29-33(42)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-1
1-13-15-17-19-21-23-25-32(41)27-28-46-38-37(45)36(44)35(43)34(30-39)47-38/h31-45
H,2-30H2,1H3/t31-,32-,33+,34?,35-,36?,37+,38+/m1/s1
SMILESO1C(CO)[C@@H](O)C([C@H](O)[C@H]1OCC[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C[C@
H](O)C)O
StatusActive
SpeciesCyanobacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesGambacorta et al. Phytochemistry, 1998, 48(5), 801-805
Calculated physicochemical properties (?):
 Heavy Atoms47Rings1Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
732.71Topological Polar
Surface Area
162.14Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
9
 logP9.30Molar
Refractivity
193.15