Structure Database (LMSD)

Common Name
Rhaunoside G
Systematic Name
Luteolin-7-O-(2''-O-caffeoyl)-β-D-glucopyranoside
Synonyms
LM ID
LMPK12113414
Formula
C30H26O14
Exact Mass
Calculate m/z
610.13226
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OHEWWNXUFJOVOD-XSCDGVCUSA-N
InChi (Click to copy)
InChI=1S/C30H26O14/c31-16-4-1-13(7-18(16)33)2-6-25(37)41-12-24-27(38)28(39)29(40)30(44-24)42-15-9-20(35)26-21(36)11-22(43-23(26)10-15)14-3-5-17(32)19(34)8-14/h1-11,24,27-35,38-40H,12H2/b6-2+/t24-,27-,28+,29-,30-/m1/s1
SMILES (Click to copy)
O[C@H]1[C@H](OC2C=C(C3=C(C=2)OC(=CC3=O)C2=CC=C(C(=C2)O)O)O)O[C@@H]([C@H]([C@@H]1O)O)COC(=O)/C=C/C1C=CC(O)=C(O)C=1

Other Databases

PubChem CID
171117869

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 5
Aromatic Rings 4
Rotatable Bonds 8
Van der Waals Molecular Volume 510.90
Topological Polar Surface Area 238.88
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 14
logP 4.05
Molar Refractivity 153.15

Admin

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