Structure Database (LMSD)
Common Name
Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside
Systematic Name
5,7,4'-Trihydroxyflavanone 7-(2,6-dirhamnosylglucoside)
Synonyms
3D model of Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside
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
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
BRDVWIOUHLWIGN-QHLGDYQJSA-N
InChi (Click to copy)
InChI=1S/C33H42O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-8,11-12,18,20,22-35,37-44H,9-10H2,1-2H3/t11-,12-,18?,20+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C=C(O)C2C(=O)CC(C3C=CC(O)=CC=3)OC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
6
Aromatic Rings
2
Rotatable Bonds
8
Van der Waals Molecular Volume
623.24
Topological Polar Surface Area
292.26
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
18
logP
2.27
Molar Refractivity
173.54
Admin
Created at
-
Updated at
26th Oct 2021