Structure Database (LMSD)
Common Name
3',5'-O-Dimethylmyricetin 3-O-beta-D-2'',3''-diacetylglucopyranoside
Systematic Name
Synonyms
- Syringetin 3-(2'',3''-diacetylglucoside)
3D model of 3',5'-O-Dimethylmyricetin 3-O-beta-D-2'',3''-diacetylglucopyranoside
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)
ABOCRUNJMFWRRX-FGZZQOONSA-N
InChi (Click to copy)
InChI=1S/C27H28O15/c1-10(29)38-24-21(34)18(9-28)41-27(26(24)39-11(2)30)42-25-22(35)19-14(32)7-13(31)8-15(19)40-23(25)12-5-16(36-3)20(33)17(6-12)37-4/h5-8,18,21,24,26-28,31-34H,9H2,1-4H3/t18-,21-,24+,26-,27+/m1/s1
SMILES (Click to copy)
C1(O)C=C(O)C=C2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(O[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O3)C(=O)C=12
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
4
Aromatic Rings
3
Rotatable Bonds
10
Van der Waals Molecular Volume
498.97
Topological Polar Surface Area
222.95
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
15
logP
3.53
Molar Refractivity
142.67
Admin
Created at
-
Updated at
28th Nov 2021