Structure database (LMSD)

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LM IDLMPR0102070028
Common Name10-Hydroxyloganin
Systematic Name-
Synonyms-
Exact Mass
406.1475 (neutral)    Calculate m/z:
FormulaC17H26O11
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]
PubChem CID443340
KEGG IDC11659
InChIKeyGTEDLLYKAJRTNK-UMHDANERSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings3Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
356.99Topological Polar
Surface Area
179.51Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
11
 logP-0.60Molar
Refractivity
92.57