Structure Database (LMSD)
Common Name
Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside
Systematic Name
Synonyms
- Crassirhizomoside C
3D model of Kaempferol 3-(2'',3''-diacetylrhamnoside)-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)
FRCCTBPYYAMKIB-REFSOVMKSA-N
InChi (Click to copy)
InChI=1S/C31H34O16/c1-11-21(36)24(39)25(40)30(41-11)45-17-9-18(35)20-19(10-17)46-26(15-5-7-16(34)8-6-15)28(23(20)38)47-31-29(44-14(4)33)27(43-13(3)32)22(37)12(2)42-31/h5-12,21-22,24-25,27,29-31,34-37,39-40H,1-4H3/t11-,12-,21-,22-,24+,25+,27+,29+,30-,31-/m0/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](O)[C@H](C)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
47
Rings
5
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
564.60
Topological Polar Surface Area
245.25
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
16
logP
4.19
Molar Refractivity
161.54
Admin
Created at
-
Updated at
6th Jan 2022