Structure Database (LMSD)
Common Name
Hypolaetin 7-sophoroside
Systematic Name
Synonyms
- 8-Hydroxyluteolin 7-sophoroside
3D model of Hypolaetin 7-sophoroside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
QOOQAJMNSMUNFZ-PGHBKSGHSA-N
InChi (Click to copy)
InChI=1S/C27H30O17/c28-6-15-18(34)21(37)23(39)26(42-15)44-25-22(38)19(35)16(7-29)43-27(25)41-14-5-12(33)17-11(32)4-13(40-24(17)20(14)36)8-1-2-9(30)10(31)3-8/h1-5,15-16,18-19,21-23,25-31,33-39H,6-7H2/t15-,16-,18-,19-,21+,22+,23-,25-,26+,27-/m1/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](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
509.47
Topological Polar Surface Area
293.80
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
17
logP
1.62
Molar Refractivity
147.82
Admin
Created at
-
Updated at
10th Dec 2021