Structure Database (LMSD)

Common Name
Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Systematic Name
5,7-Dihydroxy-4'-methoxyflavanone 7-α-L-arabinofuranosyl-(1->6)-glucoside
Synonyms
LM ID
LMPK12140341
Formula
C27H32O14
Exact Mass
Calculate m/z
580.17921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DVGAUVZPQOOYFU-BLFWKTEASA-N
InChi (Click to copy)
InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)16-8-15(30)20-14(29)6-13(7-17(20)39-16)38-27-25(35)23(33)22(32)19(41-27)10-37-26-24(34)21(31)18(9-28)40-26/h2-7,16,18-19,21-29,31-35H,8-10H2,1H3/t16?,18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](CO)O3)O2)C=C(O)C2C(=O)CC(C3C=CC(OC)=CC=3)OC=2C=1

Other Databases

METABOLOMICS ID
FL2FABGS0009
PubChem CID
42607954

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 496.64
Topological Polar Surface Area 220.27
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 1.90
Molar Refractivity 140.03

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Created at
-
Updated at
26th Oct 2021