Structure Database (LMSD)
Common Name
Geniposidic acid
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Geniposidic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Tarenna asiatica
(#1378008)
Magnoliopsida
(#3398)
Studies on monoterpene glucosides and related natural products. XXXII Iridoid Glucosides of Tarenna kotoensis var. gyokushinka,
Chem. Pharm. Bull, 1976
Chem. Pharm. Bull, 1976
DOI:
10.1248/cpb.24.1216
String Representations
InChiKey (Click to copy)
ZJDOESGVOWAULF-OGJQONSISA-N
InChi (Click to copy)
InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
SMILES (Click to copy)
[C@@]12([H])C(=CC[C@]1([H])C(C(=O)O)=CO[C@H]2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
328.26
Topological Polar Surface Area
170.28
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
-0.03
Molar Refractivity
86.26
Admin
Created at
24th Jul 2020
Updated at
24th Jul 2020