Structure Database (LMSD)

Common Name
Genkwanin 4'-alpha-L-arabinopyranosyl-(1->6)-galactoside
Systematic Name
Synonyms
  • Apigenin 7-methyl ether 4'-alpha-L-arabinopyranosyl-(1->6)-galactoside
LM ID
LMPK12111014
Formula
C27H30O14
Exact Mass
Calculate m/z
578.16356
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KQBGCOBMJGLTEP-VJGYENMSSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-36-13-6-14(28)20-15(29)8-17(40-18(20)7-13)11-2-4-12(5-3-11)39-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)16(30)9-37-26/h2-8,16,19,21-28,30-35H,9-10H2,1H3/t16-,19+,21-,22-,23-,24+,25+,26-,27+/m0/s1
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@@H](O)CO5)O4)=CC=3)=CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL3FCAGS0005
PubChem CID
101171907

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 483.10
Topological Polar Surface Area 222.11
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 2.86
Molar Refractivity 142.85

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Created at
-
Updated at
6th Jan 2022