Structure Database (LMSD)
Common Name
8-C-Glucosylquercetin 2''-O-rhamnoside
Systematic Name
Synonyms
3D model of 8-C-Glucosylquercetin 2''-O-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)
HYFIMZNIMKDHBU-CGBRWIMHSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-7-16(33)19(36)22(39)27(40-7)43-26-20(37)17(34)13(6-28)41-25(26)15-12(32)5-11(31)14-18(35)21(38)23(42-24(14)15)8-2-3-9(29)10(30)4-8/h2-5,7,13,16-17,19-20,22,25-34,36-39H,6H2,1H3/t7-,13+,16-,17+,19+,20-,22+,25-,26+,27-/m0/s1
SMILES (Click to copy)
C1(C2C=CC(O)=C(O)C=2)=C(O)C(=O)C2C(O)=CC(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](CO)O3)C=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
284.57
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
16
logP
2.12
Molar Refractivity
145.39
Admin
Created at
-
Updated at
23rd Dec 2021