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Oleoside

CAT: 0926-DHA60068-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-DHA60068-02Size:2 mg
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CAS Number
178600-68-5
MDL Number
MFCD20274718
Smiles
CC=C1C (C (=COC1OC2C (C (C (C (O2) CO) O) O) O) C (=O) O) CC (=O) O
Molecular Formula
C16H22O11
Molecular Weight
390.34 g/mol
Controlled
No

Chemical Information

Oleoside

oleoside has been reported in Ligustrum japonicum, Olea europaea, and other organisms with data available.

CAS Number178600-68-5
PubChem CID101042548
IUPAC Name(4S,5E,6S)-4-(carboxymethyl)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Molecular FormulaC16H22O11
Molecular Weight390.34
XLogP-2.3
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity628
SMILES
C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)O
InChI
InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5,7,9,11-13,15-17,20-22H,3-4H2,1H3,(H,18,19)(H,23,24)/b6-2+/t7-,9+,11+,12-,13+,15-,16-/m0/s1
InChIKey
PNMNSRMFRJNZFD-IPEIANHJSA-N
Chemical Structure
2D Structure
2D structure of Oleoside
CAS: 178600-68-5
CID: 101042548
Formula: C16H22O11
MW: 390.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.34
XLogP3-2.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass390.11621151
Monoisotopic Mass390.11621151
Topological Polar Surface Area183 Ų
Heavy Atom Count27
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N9574Oleoside dimethylester
TBZ2529Oleoside 11-methyl ester

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