Structure Database (LMSD)

Common Name
Lonicerin
Systematic Name
7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Synonyms
  • Veronicastroside
  • Diosmetin 7-neohesperidoside
LM ID
LMPK12113402
Formula
C28H32O15
Exact Mass
Calculate m/z
608.174125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Veronicastrum sibiricum (#74695)
Magnoliopsida (#3398)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
VCCNKWWXYVWTLT-CYZBKYQRSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2OC(C3C=CC(OC)=C(O)C=3)=CC(=O)C2=C(O)C=1

Other Databases

Wikipedia
Veronicastroside
PubChem CID
69964214

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 509.19
Topological Polar Surface Area 242.34
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 15
logP 2.96
Molar Refractivity 149.14

Admin

Created at
7th Jun 2021
Updated at
11th Jan 2022