Structure Database (LMSD)
Common Name
Loganin
Systematic Name
Synonyms
3D model of Loganin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
AMBQHHVBBHTQBF-UOUCRYGSSA-N
InChi (Click to copy)
InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1
SMILES (Click to copy)
[C@@]12([H])[C@@H](C)[C@H](C[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)O
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
348.20
Topological Polar Surface Area
159.28
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
0.14
Molar Refractivity
90.67
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Created at
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Updated at
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