Structure Database (LMSD)
Common Name
Kaempferol 3-glucosyl-(1->3)-rhamnoside-7-rhamnoside
Systematic Name
3,5,7,4'-Tetrahydroxyflavone 3-glucosyl-(1->3)-rhamnoside-7-rhamnoside
Synonyms
3D model of Kaempferol 3-glucosyl-(1->3)-rhamnoside-7-rhamnoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
UASJMPGIQWUWBA-KKGIKORYSA-N
InChi (Click to copy)
InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)30(22(18)40)52-33-27(45)29(20(38)11(2)47-33)51-32-26(44)24(42)21(39)17(9-34)50-32/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24-,25+,26+,27+,29+,31-,32-,33-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
6
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
618.49
Topological Polar Surface Area
314.33
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
19
logP
2.59
Molar Refractivity
178.13
Admin
Created at
-
Updated at
17th Jun 2024