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Gnetifolin K

CAT: 0931-T125462-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125462-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
193806-40-5
Target
Others
Related Pathways
Others
Purity
0.9967
Bioactivity
Gnetifolin K (GnetifolinK) is a novel stilbene diglucoside from Gnetum parvifolium with potential neuroprotective activity for the study of DNA damage.
Smiles
O(C1=C(OC)C=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C=C1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Molecular Formula
C27H34O14
Molecular Weight
582.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gnetifolin K

GnetifolinK has been reported in Gnetum gnemon with data available.

CAS Number193806-40-5
PubChem CID23955882
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-2-methoxyphenoxy]oxane-3,4,5-triol
Molecular FormulaC27H34O14
Molecular Weight582.5
XLogP-0.5
Topological Polar Surface Area228
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity832
SMILES
COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C27H34O14/c1-37-17-8-12(4-5-16(17)39-27-25(36)23(34)21(32)19(11-29)41-27)2-3-13-6-14(30)9-15(7-13)38-26-24(35)22(33)20(31)18(10-28)40-26/h2-9,18-36H,10-11H2,1H3/b3-2+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey
SKQIOEZYEYGYEH-KFPNGALKSA-N
Chemical Structure
2D Structure
2D structure of Gnetifolin K
CAS: 193806-40-5
CID: 23955882
Formula: C27H34O14
MW: 582.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.5
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass582.19485575
Monoisotopic Mass582.19485575
Topological Polar Surface Area228 Ų
Heavy Atom Count41
Formal Charge0
Complexity832
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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