Structure database (LMSD)

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LM IDLMPK12130016
Common NameLeptosidin 6-xylosyl-(1->4)-arabinoside
Systematic Name-
Synonyms-
Exact Mass
564.1479 (neutral)    Calculate m/z:
FormulaC26H28O14
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607751
METABOLOMICS IDFL1A3CGS0008
InChIKeyYUTYUSSICQFWIC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H28O14/c1-35-24-15(5-3-11-18(30)16(38-23(11)24)7-10-2-4-12(27)13(28)
6-10)39-26-22(34)20(32)17(9-37-26)40-25-21(33)19(31)14(29)8-36-25/h2-7,14,17,19-
22,25-29,31-34H,8-9H2,1H3
SMILESC12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C(OC)=C(OC1OCC(OC3OCC(O)C(O)C3O)C(O)C1O)C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings5Aromatic Rings2Rotatable Bonds6
 van der Waals
Molecular Volume
476.70Topological Polar
Surface Area
220.27Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
14
 logP1.86Molar
Refractivity
135.79