Identification

PhytoHub ID
PHUB000074
Name
Oleuropein
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
540.518
Monoisotopic Mass
540.18429109
Chemical Formula
C25H32O13
IUPAC Name
methyl (4S,5Z,6R)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate
InChI Key
RFWGABANNQMHMZ-AGKURNLASA-N
InChI Identifier
InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18+,20+,21-,22+,24+,25-/m0/s1
SMILES
COC(=O)C1=CO[[email protected]](O[[email protected]@H]2O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]2O)\C(=C/C)[[email protected]@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
7.33e-01 g/l
LogS (ALOGPS)
-2.87
LogP (ALOGPS)
0.63
Hydrogen Acceptors
11
Hydrogen Donors
6
Rotatable Bond Count
11
Polar Surface Area
201.67
Refractivity
128.21819999999997
Polarizability
53.14925093584947
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810849052288235
pKa (strongest acidic)
9.284203782971378
Number of Rings
3
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy

Family
Terpenoids
Class
Miscellaneous terpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

Metabolism

No metabolism information available

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