Structure Database (LMSD)
Common Name
6,8-Di-C-arabinopyranosyltricin
Systematic Name
Synonyms
3D model of 6,8-Di-C-arabinopyranosyltricin
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)
KITATWPNJIZETK-VEKDQDOUSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-38-13-3-8(4-14(39-2)20(13)33)12-5-9(28)15-21(34)16(26-23(36)18(31)10(29)6-40-26)22(35)17(25(15)42-12)27-24(37)19(32)11(30)7-41-27/h3-5,10-11,18-19,23-24,26-27,29-37H,6-7H2,1-2H3/t10-,11-,18-,19-,23+,24+,26-,27-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=C(OC)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
491.89
Topological Polar Surface Area
253.34
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
15
logP
2.09
Molar Refractivity
143.61
Admin
Created at
-
Updated at
7th Jan 2022