Structure Database (LMSD)
Common Name
Deoxyloganin
Systematic Name
Synonyms
3D model of Deoxyloganin
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
String Representations
InChiKey (Click to copy)
KMHXLGLJTQHEIM-OUEWTLASSA-N
InChi (Click to copy)
InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1
SMILES (Click to copy)
[C@@]12([H])[C@@H](C)CC[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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
339.41
Topological Polar Surface Area
139.05
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
logP
0.88
Molar Refractivity
88.76
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Created at
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Updated at
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