Structure Database (LMSD)
Common Name
Larycitrin 3-(4''-malonylrhamnoside)
Systematic Name
Synonyms
- Myricetin 3' methyl ether 3-(4''-malonylrhamnoside)
3D model of Larycitrin 3-(4''-malonylrhamnoside)
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)
CLJHAXXQLXXEAX-DQZSJHOISA-N
InChi (Click to copy)
InChI=1S/C25H24O15/c1-8-22(39-16(31)7-15(29)30)20(34)21(35)25(37-8)40-24-19(33)17-11(27)5-10(26)6-13(17)38-23(24)9-3-12(28)18(32)14(4-9)36-2/h3-6,8,20-22,25-28,32,34-35H,7H2,1-2H3,(H,29,30)/t8-,20-,21+,22-,25-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](OC(=O)CC(O)=O)[C@H](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
4
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
464.37
Topological Polar Surface Area
244.95
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
15
logP
2.85
Molar Refractivity
132.91
Admin
Created at
-
Updated at
4th Jan 2022