Structure Database (LMSD)
Common Name
Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside
Systematic Name
Synonyms
3D model of Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside
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)
UAIFJJZKHMRAFH-VWJYYUMFSA-N
InChi (Click to copy)
InChI=1S/C32H36O19/c1-11(34)45-10-20-28(46-12(2)35)24(41)25(42)31(49-20)50-29-22(39)19(9-33)48-32(26(29)43)51-30-23(40)21-16(38)7-14(36)8-18(21)47-27(30)13-4-5-15(37)17(6-13)44-3/h4-8,19-20,22,24-26,28-29,31-33,36-39,41-43H,9-10H2,1-3H3/t19-,20-,22+,24-,25-,26-,28-,29+,31+,32+/m1/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](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)C)[C@@H](COC(=O)C)O4)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
5
Aromatic Rings
3
Rotatable Bonds
12
Van der Waals Molecular Volume
608.27
Topological Polar Surface Area
294.94
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
19
logP
3.06
Molar Refractivity
171.80
Admin
Created at
-
Updated at
3rd Jan 2022