Structure Database (LMSD)

HO H H O O HO O O HO HO HO OH O
Common Name
10-Hydroxyloganin
Systematic Name
Synonyms
LM ID
LMPR0102070028
Formula
C17H26O11
Exact Mass
Calculate m/z
406.147515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

String Representations

InChiKey (Click to copy)
GTEDLLYKAJRTNK-UMHDANERSA-N
InChi (Click to copy)
InChI=1S/C17H26O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-7,9-14,16-23H,2-4H2,1H3/t6-,7+,9+,10-,11+,12-,13+,14-,16+,17+/m1/s1
SMILES (Click to copy)
O([C@@H]1OC=C(C(=O)OC)[C@@]2([H])C[C@H](O)[C@H](CO)[C@]21[H])[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O

References

Other Databases

KEGG ID
C11659
CHEBI ID
705
PubChem CID
443340

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 356.99
Topological Polar Surface Area 179.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP -0.60
Molar Refractivity 92.57

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Created at
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Updated at
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