Structure Database (LMSD)

Common Name
Rhaunoside B
Systematic Name
6-hydroxyluteolin-7-O-(6''-O-cinnamoyl)-β-D-glucopyranoside
Synonyms
LM ID
LMPK12113409
Formula
C30H26O13
Exact Mass
Calculate m/z
594.137345
Status
Curated
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)
RBVLZIXRPNDPFI-XVIBPUPISA-N
InChi (Click to copy)
InChI=1S/C30H26O13/c31-16-8-7-15(10-17(16)32)19-11-18(33)24-20(41-19)12-21(25(35)27(24)37)42-30-29(39)28(38)26(36)22(43-30)13-40-23(34)9-6-14-4-2-1-3-5-14/h1-12,22,26,28-32,35-39H,13H2/b9-6+/t22-,26-,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)O[C@@H]([C@H]([C@@H]1O)O)COC(=O)/C=C/C1C=CC=CC=1

Other Databases

PubChem CID
171117865

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 4
Rotatable Bonds 8
Van der Waals Molecular Volume 502.11
Topological Polar Surface Area 218.65
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 13
logP 4.34
Molar Refractivity 151.48

Admin

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