Structure Database (LMSD)
Common Name
Tarenninoside A
Systematic Name
Synonyms
- 6?-O-syringoylixoside
3D model of Tarenninoside A
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 attenuata
(#1547788)
Magnoliopsida
(#3398)
Iridoid constituents of Tarenna attenuata.,
J Nat Prod, 2006
J Nat Prod, 2006
Pubmed ID:
16792422
String Representations
InChiKey (Click to copy)
YOBQHPGGIQIZDE-YNYMFSJFSA-N
InChi (Click to copy)
InChI=1S/C25H28O16/c1-36-13-5-9(6-14(37-2)16(13)26)22(34)38-8-15-17(27)18(28)19(29)23(40-15)41-24-25(35)11(3-4-12(25)21(32)33)10(7-39-24)20(30)31/h4-7,11,15,17-19,23-24,26-29,35H,3,8H2,1-2H3,(H,30,31)(H,32,33)/t11-,15-,17+,18+,19-,23+,24+,25-/m1/s1
SMILES (Click to copy)
C1(C(=O)O)[C@@]2([H])CC=C(C(O)=O)[C@@]2(O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](COC(C3=CC(OC)=C(O)C(OC)=C3)=O)O2)OC=1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
4
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
500.24
Topological Polar Surface Area
252.34
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
16
logP
0.77
Molar Refractivity
132.70
Admin
Created at
24th Jul 2020
Updated at
10th Feb 2021