Identification

PhytoHub ID
PHUB001683
Name
Oleoside 11-methylester
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
404.368
Monoisotopic Mass
404.131861593
Chemical Formula
C17H24O11
IUPAC Name
oleoside 11-methyl ester
InChI Key
XSCVKBFEPYGZSL-RSWWQVQPNA-N
InChI Identifier
InChI=1/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3-/t8-,10+,12+,13-,14+,16-,17-/s2
SMILES
COC(=O)C1=CO[[email protected]@H](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)=O
Structure

Calculated Properties

Solubility (ALOGPS)
9.83e+00 g/l
LogS (ALOGPS)
-1.61
LogP (ALOGPS)
-1.32
Hydrogen Acceptors
10
Hydrogen Donors
5
Rotatable Bond Count
7
Polar Surface Area
172.20999999999998
Refractivity
90.1197
Polarizability
38.66614053092016
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.9810849052288235
pKa (strongest acidic)
3.865534259711027
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Olive, greenFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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