Structure Database (LMSD)
Common Name
Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside)
Systematic Name
Synonyms
3D model of Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
LOZSDYKADWUMPL-VUGVRVHKSA-N
InChi (Click to copy)
InChI=1S/C43H52O20/c1-19(9-10-43(55)41(2)14-21(46)15-42(43,3)57-18-41)11-28(48)62-37-31(50)27(17-45)61-40(35(37)54)58-22-7-5-20(6-8-22)36-38(63-39-34(53)33(52)30(49)26(16-44)60-39)32(51)29-24(47)12-23(56-4)13-25(29)59-36/h5-13,21,26-27,30-31,33-35,37,39-40,44-47,49-50,52-55H,14-18H2,1-4H3/b10-9+,19-11-/t21-,26+,27+,30+,31+,33-,34+,35+,37-,39-,40+,41+,42+,43-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](OC(/C=C(\C=C\[C@@]5(O)[C@]6(C)OC[C@@]5(C)C[C@H](O)C6)/C)=O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
63
Rings
7
Aromatic Rings
3
Rotatable Bonds
13
Van der Waals Molecular Volume
780.00
Topological Polar Surface Area
320.40
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
20
logP
4.74
Molar Refractivity
222.59
Admin
Created at
-
Updated at
20th Dec 2021