Structure Database (LMSD)

Common Name
Catalpol
Systematic Name
Synonyms
LM ID
LMPR0102070007
Formula
C15H22O10
Exact Mass
Calculate m/z
362.1213
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
LHDWRKICQLTVDL-PZYDOOQISA-N
InChi (Click to copy)
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
SMILES (Click to copy)
O([C@@H]1OC=C[C@@]2([H])[C@H](O)[C@]3([H])O[C@]3(CO)[C@]21[H])[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O

Other Databases

Wikipedia
Catalpol
KEGG ID
C09773
CHEBI ID
69797
PubChem CID
91520
Cayman ID
24925

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 303.88
Topological Polar Surface Area 165.74
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP -0.44
Molar Refractivity 82.13

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Created at
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Updated at
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