Structure Database (LMSD)
Common Name
Isorhamnetin 3-xylosyl-(1->2)-glucoside-7-rhamnoside
Systematic Name
Synonyms
- Quercetin 3'-methyl ether 3-xylosyl-(1->2)-glucoside-7-rhamnoside
3D model of Isorhamnetin 3-xylosyl-(1->2)-glucoside-7-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)
OLALHGLMPPYOHE-LLWBJMQJSA-N
InChi (Click to copy)
InChI=1S/C33H40O20/c1-10-20(38)24(42)27(45)32(48-10)49-12-6-14(36)19-17(7-12)50-28(11-3-4-13(35)16(5-11)46-2)29(23(19)41)52-33-30(25(43)22(40)18(8-34)51-33)53-31-26(44)21(39)15(37)9-47-31/h3-7,10,15,18,20-22,24-27,30-40,42-45H,8-9H2,1-2H3/t10-,15+,18+,20-,21-,22+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1
SMILES (Click to copy)
C1C=C(O)C(OC)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(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
53
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
627.28
Topological Polar Surface Area
323.56
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
20
logP
2.21
Molar Refractivity
180.06
Admin
Created at
-
Updated at
4th Oct 2021