Structure Database (LMSD)

O O HO HO HO O HO HO HO HO O OH O O O
Common Name
Salicifolioside A
Systematic Name
2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-gentiobioside
Synonyms
  • 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-glucosyl-(1'''->6'')-glucoside
LM ID
LMPK12120552
Formula
C29H38O15
Exact Mass
Calculate m/z
626.221075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
HIBKUVNPLDZFLK-YHRQVHEKSA-N
InChi (Click to copy)
InChI=1S/C29H38O15/c1-39-15-10-16(27(40-2)22(34)19(15)14(31)9-8-13-6-4-3-5-7-13)42-29-26(38)24(36)21(33)18(44-29)12-41-28-25(37)23(35)20(32)17(11-30)43-28/h3-7,10,17-18,20-21,23-26,28-30,32-38H,8-9,11-12H2,1-2H3/t17-,18-,20-,21-,23+,24+,25-,26-,28-,29-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[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(OC)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(OC)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL1DE9GS0001
PubChem CID
10699171

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 4
Aromatic Rings 2
Rotatable Bonds 12
Van der Waals Molecular Volume 552.39
Topological Polar Surface Area 238.43
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 15
logP 1.66
Molar Refractivity 153.43

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Created at
-
Updated at
21st Sep 2021