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
LM ID
LMPK12111877
Formula
Exact Mass
Calculate m/z
740.216385
Status
Curated


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cinnamomum sieboldii (#119266)
Magnoliopsida (#3398)
Four kaempferol glycosides from leaves of Cinnamomum sieboldii,
Phytochemistry, 1983
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

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

METABOLOMICS ID
PubChem CID

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

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Created at
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Updated at
17th Jun 2024