Structure Database (LMSD)
Common Name
Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apioside-4'-glucoside
Systematic Name
Synonyms
3D model of Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apioside-4'-glucoside
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)
RVPUCZUNKUGGJU-GNBNNRQWSA-N
InChi (Click to copy)
InChI=1S/C32H38O19/c1-44-15-6-16(35)19-17(7-15)49-24(13-2-4-14(5-3-13)48-28-23(39)22(38)20(36)18(8-33)50-28)25(21(19)37)51-30-27(41)32(43,12-47-30)11-46-29-26(40)31(42,9-34)10-45-29/h2-7,18,20,22-23,26-30,33-36,38-43H,8-12H2,1H3/t18-,20-,22+,23-,26+,27+,28-,29+,30+,31-,32-/m1/s1
SMILES (Click to copy)
C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC=1C1=C(O[C@@H]2OC[C@](O)(CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)C(=O)C2C(O)=CC(OC)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
6
Aromatic Rings
3
Rotatable Bonds
11
Van der Waals Molecular Volume
601.19
Topological Polar Surface Area
303.33
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
19
logP
2.11
Molar Refractivity
173.78
Admin
Created at
-
Updated at
2nd Jan 2022