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Ophiopogonside A

CAT: 0804-HY-N5146-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N5146-01Size:1 mg
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Description
Ophiopogonside A, a natural conpound that could be isolated from ophiopogon japonicas, possesses anti-cancer activity[1].
CAS Number
2423917-90-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ophiopogonside-a.html
Solubility
10 mM in DMSO
Smiles
C[C@H]1C2=C([C@@H](CC[C@H](C2)C(C)(C)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C)CC1
Molecular Formula
C26H44O10
Molecular Weight
516.62
References & Citations
[1]Zheng, Haoyuan, et al. Compound extracted from ophiopogon japonicus, method thereof and application of compound in preparing drug for inhibiting tumor cell growth. CN111040002A.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ophiopogonside A
CAS Number2423917-90-0
PubChem CID162642222
IUPAC Name(2S,3R,4S,5S,6R)-2-[2-[(3R,5R,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Molecular FormulaC26H44O10
Molecular Weight516.6
XLogP-0.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity787
SMILES
C[C@@H]1CC[C@H](CC2=C1CC[C@H]2C)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O
InChI
InChI=1S/C26H44O10/c1-12-5-7-14(9-16-13(2)6-8-15(12)16)26(3,4)36-25-23(32)21(30)20(29)18(35-25)11-34-24-22(31)19(28)17(27)10-33-24/h12-14,17-25,27-32H,5-11H2,1-4H3/t12-,13-,14-,17-,18-,19+,20-,21+,22-,23-,24+,25+/m1/s1
InChIKey
CMWCOGXNTXNBEV-GOIGYIMQSA-N
Chemical Structure
2D Structure
2D structure of Ophiopogonside A
CAS: 2423917-90-0
CID: 162642222
Formula: C26H44O10
MW: 516.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.6
XLogP3-0.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass516.29344760
Monoisotopic Mass516.29344760
Topological Polar Surface Area158 Ų
Heavy Atom Count36
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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