Structure Database (LMSD)

Common Name
6,8-Di-C-glucosylgenkwanin 2'''-O-xyloside
Systematic Name
Synonyms
LM ID
LMPK12110996
Formula
C33H40O19
Exact Mass
Calculate m/z
740.216385
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
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
RAMKCCYIHFXTGJ-DTMGIHIVSA-N
InChi (Click to copy)
InChI=1S/C33H40O19/c1-47-28-18(30-26(45)24(43)21(40)15(7-34)50-30)23(42)17-12(37)6-14(10-2-4-11(36)5-3-10)49-29(17)19(28)31-32(25(44)22(41)16(8-35)51-31)52-33-27(46)20(39)13(38)9-48-33/h2-6,13,15-16,20-22,24-27,30-36,38-46H,7-9H2,1H3/t13-,15-,16-,20+,21-,22-,24+,25+,26-,27-,30+,31+,32-,33+/m1/s1
SMILES (Click to copy)
C1(OC)=C([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)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Other Databases

METABOLOMICS ID
FL3FCACS0027
PubChem CID
44258339

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 325.33
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 19
logP 1.56
Molar Refractivity 177.59

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Created at
-
Updated at
6th Jan 2022