Structure Database (LMSD)
Common Name
Kaempferol 3-sophoroside-7-alpha-L-arabinofuranoside
Systematic Name
7-(α-L-Arabinofuranosyloxy)-4',5-dihydroxy-3-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy) flavone
Synonyms
3D model of Kaempferol 3-sophoroside-7-alpha-L-arabinofuranoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pyrrosia serpens
(#347942)
Polypodiopsida
(#241806)
Kaempferol 3-O-sophoroside-7-O-α-l-arabinofuranoside, neohesperidosides and other flavonoids from the fern Pyrrosia serpens,
Phytochemistry, 1990
Phytochemistry, 1990
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
CMTMRXGGKFFOGD-HYBBRMPRSA-N
InChi (Click to copy)
InChI=1S/C32H38O20/c33-7-15-19(38)23(42)26(45)31(49-15)52-29-24(43)20(39)16(8-34)50-32(29)51-28-22(41)18-13(37)5-12(46-30-25(44)21(40)17(9-35)48-30)6-14(18)47-27(28)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-26,29-40,42-45H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30+,31+,32+/m1/s1
SMILES (Click to copy)
C1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
6
Aromatic Rings
3
Rotatable Bonds
10
Van der Waals Molecular Volume
609.98
Topological Polar Surface Area
334.56
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
20
logP
1.46
Molar Refractivity
175.41
Admin
Created at
-
Updated at
17th Jun 2024