Structure Database (LMSD)
Common Name
6-Hydroxytricetin 6,3',5'-trimethyl ether 7-alpha-L-arabinosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of 6-Hydroxytricetin 6,3',5'-trimethyl ether 7-alpha-L-arabinosyl-(1->6)-glucoside
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)
AXUMCZVIVPIYMJ-GDFRHACOSA-N
InChi (Click to copy)
InChI=1S/C29H34O17/c1-39-15-4-10(5-16(40-2)21(15)33)13-6-11(30)19-14(44-13)7-17(27(41-3)23(19)35)45-29-26(38)24(36)22(34)18(46-29)9-43-28-25(37)20(32)12(31)8-42-28/h4-7,12,18,20,22,24-26,28-29,31-38H,8-9H2,1-3H3/t12-,18+,20-,22+,24-,25+,26+,28-,29+/m0/s1
SMILES (Click to copy)
C1C(OC)=C(O)C(OC)=CC=1C1=CC(=O)C2C(O)=C(OC)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@@H](O)CO4)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
5
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
544.07
Topological Polar Surface Area
260.80
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
17
logP
2.59
Molar Refractivity
157.62
Admin
Created at
-
Updated at
22nd Dec 2021