Structure Database (LMSD)

Common Name
Rhamnazin 3-galactoside-4'-glucoside
Systematic Name
Synonyms
LM ID
LMPK12112630
Formula
C29H34O17
Exact Mass
Calculate m/z
654.179605
Status
Active
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)
HHVFGSHKCLQRAL-ZJFDUQSQSA-N
InChi (Click to copy)
InChI=1S/C29H34O17/c1-40-11-6-12(32)18-15(7-11)42-26(27(21(18)35)46-29-25(39)23(37)20(34)17(9-31)45-29)10-3-4-13(14(5-10)41-2)43-28-24(38)22(36)19(33)16(8-30)44-28/h3-7,16-17,19-20,22-25,28-34,36-39H,8-9H2,1-2H3/t16-,17-,19-,20+,22+,23+,24-,25-,28-,29+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FCDGA0002
PubChem CID
102402436

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 5
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 544.07
Topological Polar Surface Area 271.80
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 17
logP 1.87
Molar Refractivity 157.69

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Created at
-
Updated at
28th Nov 2021