Structure Database (LMSD)
Common Name
6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside
Systematic Name
Synonyms
3D model of 6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside
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)
HXSUAGOTPOGJDV-BYFJDGGESA-N
InChi (Click to copy)
InChI=1S/C28H32O16/c1-8-17(32)21(36)23(38)26(41-8)16-12(40-2)6-13-15(19(16)34)20(35)27(25(42-13)9-3-4-10(30)11(31)5-9)44-28-24(39)22(37)18(33)14(7-29)43-28/h3-6,8,14,17-18,21-24,26,28-34,36-39H,7H2,1-2H3/t8-,14+,17-,18+,21+,22-,23+,24+,26-,28-/m0/s1
SMILES (Click to copy)
C1(C2C=CC(O)=C(O)C=2)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=C([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(OC)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
517.98
Topological Polar Surface Area
273.57
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
2.07
Molar Refractivity
150.38
Admin
Created at
-
Updated at
28th Nov 2021