Structure Database (LMSD)

O OH OH OH OH HO O O OH O OH HO
Common Name
Rhaunoside C
Systematic Name
6-hydroxyluteolin-4-O-β-D-glucopyranoside
Synonyms
LM ID
LMPK12113410
Formula
C21H20O12
Exact Mass
Calculate m/z
464.09548
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
AKSZSCPYBJWHMM-IAAKTDFRSA-N
InChi (Click to copy)
InChI=1S/C21H20O12/c22-6-14-17(27)19(29)20(30)21(33-14)32-11-2-1-7(3-8(11)23)12-4-9(24)15-13(31-12)5-10(25)16(26)18(15)28/h1-5,14,17,19-23,25-30H,6H2/t14-,17-,19+,20-,21-/m1/s1
SMILES (Click to copy)
OC1C(=CC2=C(C=1O)C(C=C(O2)C1=CC=C(C(=C1)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhaponticum uniflorum (#362646)
Magnoliopsida (#3398)
New Flavonoids and Turkesterone-2-O-Cinnamate from Leaves of Rhaponticum uniflorum,
Phytochem Anal, 2019

Other Databases

PubChem CID
171117866

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 374.08
Topological Polar Surface Area 212.58
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.08
Molar Refractivity 112.13

Admin

Created at
6th Oct 2023
Updated at
6th Oct 2023