Structure Database (LMSD)
Common Name
Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Systematic Name
Synonyms
3D model of Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
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)
KEVHBKCMNNPOKL-SOFRHBQESA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-9-18(32)21(35)25(42-26-22(36)19(33)14(31)8-38-26)27(39-9)41-24-20(34)17-13(30)6-11(28)7-16(17)40-23(24)10-3-4-12(29)15(5-10)37-2/h3-7,9,14,18-19,21-22,25-33,35-36H,8H2,1-2H3/t9-,14-,18-,19-,21+,22+,25+,26-,27-/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)CO4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
491.89
Topological Polar Surface Area
242.34
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
15
logP
3.02
Molar Refractivity
144.28
Admin
Created at
-
Updated at
3rd Jan 2022