Structure Database (LMSD)
Common Name
Isorhamnetin 3-(2G-galactosylrutinoside)
Systematic Name
Synonyms
- Quercetin 3'-methyl ether 3-galactosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
3D model of Isorhamnetin 3-(2G-galactosylrutinoside)
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)
IPNYNJAPZARORI-FXYGCJRBSA-N
InChi (Click to copy)
InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(50-10)49-9-18-22(41)26(45)31(55-33-28(47)25(44)21(40)17(8-35)52-33)34(53-18)54-30-23(42)19-14(38)6-12(36)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21-,22+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(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[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
6
Aromatic Rings
3
Rotatable Bonds
10
Van der Waals Molecular Volume
653.37
Topological Polar Surface Area
343.79
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
21
logP
2.21
Molar Refractivity
186.48
Admin
Created at
-
Updated at
25th Sep 2021