Structure Database (LMSD)
Common Name
2''-O-alpha-L-Rhamnosyl-6-C-quinovopyranosyl-luteolin
Systematic Name
Synonyms
3D model of 2''-O-alpha-L-Rhamnosyl-6-C-quinovopyranosyl-luteolin
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)
QXHHBGFIPDPRAX-AYPIGDLLSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3/t8-,9-,19-,20-,22+,23-,24+,25+,26+,27-/m0/s1
SMILES (Click to copy)
C1(C2C=CC(O)=C(O)C=2)=CC(=O)C2C(O)=C([C@@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@@H](O)[C@H](C)O3)C(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
5
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
483.10
Topological Polar Surface Area
244.11
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
14
logP
3.15
Molar Refractivity
141.83
Admin
Created at
-
Updated at
23rd Dec 2021