Structure Database (LMSD)
Common Name
Myricetin 7-methyl ether 3,4'-di-O-alpha-L-rhamnopyranoside
Systematic Name
Synonyms
3D model of Myricetin 7-methyl ether 3,4'-di-O-alpha-L-rhamnopyranoside
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)
ROPSGBPJLGYBSZ-LZVVBHCVSA-N
InChi (Click to copy)
InChI=1S/C28H32O16/c1-8-17(32)20(35)22(37)27(40-8)43-25-13(30)4-10(5-14(25)31)24-26(44-28-23(38)21(36)18(33)9(2)41-28)19(34)16-12(29)6-11(39-3)7-15(16)42-24/h4-9,17-18,20-23,27-33,35-38H,1-3H3/t8-,9-,17-,18-,20+,21+,22+,23+,27-,28-/m0/s1
SMILES (Click to copy)
C1(O)C=C(OC)C=C2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=C(O)C=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=12
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
262.57
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
16
logP
2.76
Molar Refractivity
150.66
Admin
Created at
-
Updated at
2nd Jan 2022