Structure database (LMSD)

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LM IDLMFA13010025
Common Name1-(O-α-D-glucopyranosyl)-(1,3S,25R)-hexacosanetriol
Systematic Name1-(O-α-D-glucopyranosyl)-(1,3S,25R)-hexacosanetriol
Synonyms-
Exact Mass
576.4601 (neutral)    Calculate m/z:
FormulaC32H64O8
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID42607359
InChIKeyZTDUIGVZKPFWOX-HFQAUVFUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H64O8/c1-26(34)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-2
2-27(35)23-24-39-32-31(38)30(37)29(36)28(25-33)40-32/h26-38H,2-25H2,1H3/t26-,27+
,28?,29-,30?,31+,32+/m1/s1
SMILESO1C(CO)[C@@H](O)C([C@H](O)[C@H]1OCC[C@@H](O)CCCCCCCCCCCCCCCCCCCCC[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 Atoms40Rings1Aromatic Rings0Rotatable Bonds27
 van der Waals
Molecular Volume
620.12Topological Polar
Surface Area
141.91Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP7.70Molar
Refractivity
163.54