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Goyaglycoside d

CAT: 0804-HY-N13689-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N13689-01Size:1 mg
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Description
Goyaglycoside d is a natural product[1].
CAS Number
333332-50-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/goyaglycoside-d.html
Smiles
CO[C@H]1[C@]23[C@@]4([H])[C@@](C(C)([C@H](CC4)O[C@@H]5O[C@@H]([C@H]([C@H]([C@H]5O)O)O)CO)C)(C=C[C@@]2([H])[C@]6([C@](CC3)([C@@](CC6)([H])[C@H](C)C/C=C/C(C)(C)OC)C)C)O1
Molecular Formula
C38H62O9
Molecular Weight
662.89
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Goyaglycoside D

(19R,23E)-3beta-(beta-D-Allopyranosyloxy)-5beta,19-epoxy-19,25-dimethoxycucurbita-6,23-diene has been reported in Momordica charantia with data available.

CAS Number333332-50-6
PubChem CID101077715
IUPAC Name(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
Molecular FormulaC38H62O9
Molecular Weight662.9
XLogP5.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count47
Formal Charge0
Complexity1220
SMILES
C[C@H](C/C=C/C(C)(C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]4OC)C)C
InChI
InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+/t22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,35-,36+,37+,38-/m1/s1
InChIKey
JYKQEJLWLRMCRC-MOHYVYPLSA-N
Chemical Structure
2D Structure
2D structure of Goyaglycoside D
CAS: 333332-50-6
CID: 101077715
Formula: C38H62O9
MW: 662.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.9
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass662.43938355
Monoisotopic Mass662.43938355
Topological Polar Surface Area127 Ų
Heavy Atom Count47
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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