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2'-acetylacteoside

CAT: 0013-GTR19159240-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159240-02Size:500 mg
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Description
2'-Acetylacteoside has antioxidative activity. It can significantly attenuate glutamate-induced neurotoxicity at concentrations ranging from 0.1 to 10 μM. 2'-Acetylacteoside shows antiproliferative effects on aortic smooth muscle, indicates that it may have preventative effects on arteriosclerosis. 2'-Acetylacteoside (0.071 uM) demonstrates potent rat lens aldose reductase inhibitory activity.
CAS Number
94492-24-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (150.01 mM)
Smiles
C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) O[C@H]2[C@@H] ([C@H] (O[C@H] ([C@@H]2OC (=O) C) OCCC3=CC (=C (C=C3) O) O) CO) OC (=O) /C=C/C4=CC (=C (C=C4) O) O) O) O) O
Molecular Formula
C31H38O16
Molecular Weight
666.62
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Acetylacteoside

2-Acetylacteoside has been reported in Callicarpa kwangtungensis, Pedicularis densispica, and other organisms with data available.

CAS Number94492-24-7
PubChem CID21629996
IUPAC Name[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC31H38O16
Molecular Weight666.6
XLogP0.1
Topological Polar Surface Area251
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Heavy Atom Count47
Formal Charge0
Complexity1040
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1
InChIKey
ALERZNQPBWWLMW-OMRKUVHCSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylacteoside
CAS: 94492-24-7
CID: 21629996
Formula: C31H38O16
MW: 666.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.6
XLogP30.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Exact Mass666.21598512
Monoisotopic Mass666.21598512
Topological Polar Surface Area251 Ų
Heavy Atom Count47
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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