Structure Database (LMSD)

Common Name
Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
Systematic Name
7-methoxy-3,4',5-trihydroxyflavone 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
Synonyms
  • 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl) -7-methoxy-4H-1-benzopyran-4-one
LM ID
LMPK12112580
Formula
Exact Mass
Calculate m/z
740.216386
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Cestrum nocturnum (#225615)
Magnoliopsida (#3398)
Flavonol glycosides and steroidal saponins from the leaves of Cestrum nocturnum and their cytotoxicity.,
J Nat Prod, 2001
Pubmed ID: 11170659

String Representations

InChiKey (Click to copy)
OIFYUPKGGZALHH-YTXTUVRSSA-N
InChi (Click to copy)
InChI=1S/C33H40O19/c1-11-20(37)24(41)27(44)31(48-11)47-10-18-22(39)25(42)30(52-32-26(43)21(38)16(36)9-46-32)33(50-18)51-29-23(40)19-15(35)7-14(45-2)8-17(19)49-28(29)12-3-5-13(34)6-4-12/h3-8,11,16,18,20-22,24-27,30-39,41-44H,9-10H2,1-2H3/t11-,16+,18+,20-,21-,22+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C(=O)C2C(O)=CC(OC)=CC=2O1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 6
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 618.49
Topological Polar Surface Area 303.33
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 19
logP 2.85
Molar Refractivity 178.30

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Created at
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Updated at
6th Oct 2026