Structure Database (LMSD)
Common Name
2''-O-beta-L-galactopyranosylorientin
Systematic Name
Synonyms
3D model of 2''-O-beta-L-galactopyranosylorientin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
QQBFHNKJGBCSLG-AMBXKRCHSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c28-6-15-20(36)22(38)26(43-27-23(39)21(37)19(35)16(7-29)42-27)25(41-15)18-12(33)4-11(32)17-13(34)5-14(40-24(17)18)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-23,25-33,35-39H,6-7H2/t15-,16-,19+,20-,21+,22+,23-,25+,26-,27+/m1/s1
SMILES (Click to copy)
C1([C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(O)=CC(O)=C2C(=O)C=C(C3C=C(O)C(O)=CC=3)OC=12
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
284.57
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
16
logP
1.67
Molar Refractivity
145.63
Admin
Created at
-
Updated at
23rd Dec 2021