Structure Database (LMSD)
Common Name
Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Systematic Name
Synonyms
- Ricinitin
3D model of Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
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)
ZYWDQPKNCPJCMM-UMYSOPDSSA-N
InChi (Click to copy)
InChI=1S/C29H32O17/c1-10(31)41-9-17-19(35)22(38)23(39)28(44-17)45-26-20(36)16(8-30)43-29(24(26)40)46-27-21(37)18-14(34)6-13(33)7-15(18)42-25(27)11-2-4-12(32)5-3-11/h2-7,16-17,19-20,22-24,26,28-30,32-36,38-40H,8-9H2,1H3/t16-,17-,19-,20+,22+,23-,24-,26+,28+,29+/m1/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O3)[C@@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
5
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
541.43
Topological Polar Surface Area
279.64
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
17
logP
2.48
Molar Refractivity
155.70
Admin
Created at
-
Updated at
7th Jan 2022