Structure Database (LMSD)

Common Name
Dalpanol O-glucoside
Systematic Name
Synonyms
LM ID
LMPK12060004
Status
Active
Exact Mass
Calculate m/z
574.20503
Formula
C29H34O12
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

String Representations

InChiKey (Click to copy)
XLAVQLXQQIQYSX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H34O12/c1-29(2,41-28-26(34)25(33)24(32)19(10-30)40-28)21-8-14-15(38-21)6-5-12-23(31)22-13-7-17(35-3)18(36-4)9-16(13)37-11-20(22)39-27(12)14/h5-7,9,19-22,24-26,28,30,32-34H,8,10-11H2,1-4H3
SMILES (Click to copy)
O(C1OC(CO)C(O)C(O)C1O)C(C1OC2C=CC3C(=O)C4C5C(OCC4OC=3C=2C1)=CC(OC)=C(OC)C=5)(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
168304
METABOLOMICS ID
FLIF1LGF0003
PubChem CID
14779760

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 6
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 501.30
Topological Polar Surface Area 170.88
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 3.58
Molar Refractivity 145.10

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Updated at
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