Structure Database (LMSD)

Common Name
Rhamnazin 3-glucosyl-(1->5)-alpha-L-arabinofuranoside
Systematic Name
Synonyms
  • Quercetin 7,3'-dimethyl ether 3-glucosyl-(1->5)-alpha-L-arabinofuranoside
LM ID
LMPK12112638
Formula
C28H32O16
Exact Mass
Calculate m/z
624.16904
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)
JXRZMKWWELOXOG-WRWJMKOESA-N
InChi (Click to copy)
InChI=1S/C28H32O16/c1-38-11-6-13(31)18-15(7-11)41-25(10-3-4-12(30)14(5-10)39-2)26(21(18)34)44-28-23(36)20(33)17(43-28)9-40-27-24(37)22(35)19(32)16(8-29)42-27/h3-7,16-17,19-20,22-24,27-33,35-37H,8-9H2,1-2H3/t16-,17+,19-,20+,22+,23-,24-,27-,28+/m1/s1
SMILES (Click to copy)
C1C=C(O)C(OC)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)C(=O)C2C(O)=CC(OC)=CC=2O1

Other Databases

METABOLOMICS ID
FL5FCDGS0002
PubChem CID
44259616

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 5
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 517.98
Topological Polar Surface Area 251.57
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 16
logP 2.58
Molar Refractivity 151.07

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Created at
-
Updated at
23rd Dec 2021