Structure Database (LMSD)

Common Name
Rhamnocitrin 3-apiosyl-(1->2)-glucoside-4'-glucoside
Systematic Name
7-Methoxy-3-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4'-(β-D-glucopyranosyloxy)-5-hydroxyflavone
Synonyms
  • Complanatoside B
LM ID
LMPK12112567
Formula
C33H40O20
Exact Mass
Calculate m/z
756.2113
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phyllolobium chinense (#47064)
Magnoliopsida (#3398)
Chemical Constituents of Astragali Semen,
Chem Pharm Bull, 1993
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
YCXFPUHHUJNTNY-CUCHOISXSA-N
InChi (Click to copy)
InChI=1S/C33H40O20/c1-46-14-6-15(37)19-16(7-14)49-26(12-2-4-13(5-3-12)48-30-25(43)23(41)20(38)17(8-34)50-30)27(22(19)40)52-31-28(24(42)21(39)18(9-35)51-31)53-32-29(44)33(45,10-36)11-47-32/h2-7,17-18,20-21,23-25,28-32,34-39,41-45H,8-11H2,1H3/t17-,18-,20-,21-,23+,24+,25-,28-,29+,30-,31+,32+,33-/m1/s1
SMILES (Click to copy)
O1[C@@H](O[C@H]2[C@H](OC3C(C4C(=CC(=CC=4OC=3C3=CC=C(C=C3)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)OC)O)=O)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@H](O)[C@](CO)(O)C1

Other Databases

METABOLOMICS ID
FL5FCAGL0006
PubChem CID
10440090

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 6
Aromatic Rings 3
Rotatable Bonds 11
Van der Waals Molecular Volume 627.28
Topological Polar Surface Area 323.56
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 20
logP 1.76
Molar Refractivity 180.30

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Created at
-
Updated at
7th Jun 2024