Structure Database (LMSD)

HO O HO HO O O OH HO O HO HO OH O O O OH OH O
Common Name
Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside
Systematic Name
5,7,4'-Trihydroxyflavanone 7-(2,6-dirhamnosylglucoside)
Synonyms
LM ID
LMPK12140262
Formula
C33H42O18
Exact Mass
Calculate m/z
726.23712
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAAGS0028
PubChem CID
146115932

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

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Created at
-
Updated at
26th Oct 2021