Structure Database (LMSD)
Common Name
Isoorientin 7-O-rhamnoside
Systematic Name
6-β-D-glucopyranosyl-3',4',5,7-tetrahydroxyflavone 7-(6-deoxy-a-L-mannopyranoside)
Synonyms
3D model of Isoorientin 7-O-rhamnoside
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)
BWFNSKPHIOFUMZ-GXHNKYLDSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(39-8)42-15-6-14-17(12(31)5-13(40-14)9-2-3-10(29)11(30)4-9)21(34)18(15)26-24(37)23(36)20(33)16(7-28)41-26/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25+,26-,27-/m0/s1
SMILES (Click to copy)
C1(C2C=CC(O)=C(O)C=2)=CC(=O)C2C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1
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
264.34
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
15
logP
2.06
Molar Refractivity
143.82
Admin
Created at
-
Updated at
23rd Sep 2021