Structure Database (LMSD)

Common Name
Rhamnazin 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Systematic Name
3,5,4'-Trihydroxy-7,3'-dimethoxyflavone 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Synonyms
  • Viscumneoside IV
LM ID
LMPK12112636
Formula
C29H32O16
Exact Mass
Calculate m/z
636.16904
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)
ZPMHWGODKDJELN-IFZGUCFQSA-N
InChi (Click to copy)
InChI=1S/C29H32O16/c1-29(39,9-19(32)33)10-20(34)42-11-18-22(35)24(37)25(38)28(44-18)45-27-23(36)21-15(31)7-13(40-2)8-17(21)43-26(27)12-4-5-14(30)16(6-12)41-3/h4-8,18,22,24-25,28,30-31,35,37-39H,9-11H2,1-3H3,(H,32,33)/t18-,22-,24+,25-,28+,29?/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(C)(O)CC(=O)O)=O)O3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FCDGL0004
PubChem CID
5492426

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 4
Aromatic Rings 3
Rotatable Bonds 12
Van der Waals Molecular Volume 542.36
Topological Polar Surface Area 254.18
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 16
logP 3.14
Molar Refractivity 153.79

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Created at
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Updated at
18th Jun 2024