Structure Database (LMSD)
Common Name
Artabotryside B
Systematic Name
Synonyms
- Kaempferol 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside
3D model of Artabotryside B
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)
NRVLSEXRPWZCQQ-OXKYUPSOSA-N
InChi (Click to copy)
InChI=1S/C26H28O14/c1-9-17(31)20(34)21(35)25(36-9)40-24-18(32)15(8-27)38-26(24)39-23-19(33)16-13(30)6-12(29)7-14(16)37-22(23)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-21,24-32,34-35H,8H2,1H3/t9-,15-,17-,18-,20+,21+,24+,25-,26-/m0/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
465.80
Topological Polar Surface Area
233.11
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
3.01
Molar Refractivity
137.73
Admin
Created at
-
Updated at
9th Jan 2022