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Anhuienoside B

CAT: 0804-HY-N10377-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N10377-01Size:1 mg
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Description
Anhuienoside B is a natural product that can be isolated from the fresh leaves of C. anhuiensis K. F. Wu in response to abiotic stress elicitation by CuCl2[1].
CAS Number
1233510-75-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/anhuienoside-b.html
Solubility
10 mM in DMSO
Smiles
O=C(/C=C/C(C=C1)=CC(O)=C1O)O[C@H]([C@H](O2)CO)[C@]3([H])O[C@@]([C@@H]([C@H]4O)O)([H])[C@@](O[C@H]4C)([H])OCC(C(C=C5)=CC(O)=C5O)O[C@]2([H])[C@@H]3O
Molecular Formula
C29H34O15
Molecular Weight
622.57
References & Citations
[1]Wu B, et al. An unusual stress metabolite induced by CuCl (2) and other constituents from the leaves of Chloranthus anhuiensis. J Nat Prod. 2010 Jun 25;73 (6) :1069-74.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Anhuienoside B
CAS Number1233510-75-2
PubChem CID46850001
IUPAC Name[(1R,3R,4R,5R,6S,8S,13S,15R,16R,17R)-11-(3,4-dihydroxyphenyl)-4,5,17-trihydroxy-15-(hydroxymethyl)-6-methyl-2,7,9,12,14-pentaoxatricyclo[11.3.1.03,8]heptadecan-16-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H34O15
Molecular Weight622.6
XLogP-0.6
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity982
SMILES
C[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)OCC(O[C@@H]3[C@@H]([C@@H](O2)[C@@H]([C@H](O3)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O)O
InChI
InChI=1S/C29H34O15/c1-12-22(36)23(37)27-29(40-12)39-11-20(14-4-6-16(32)18(34)9-14)42-28-24(38)26(44-27)25(19(10-30)41-28)43-21(35)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20?,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKey
YCPGXBUTQCIAHS-HPRNYKHHSA-N
Chemical Structure
2D Structure
2D structure of Anhuienoside B
CAS: 1233510-75-2
CID: 46850001
Formula: C29H34O15
MW: 622.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.6
XLogP3-0.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass622.18977037
Monoisotopic Mass622.18977037
Topological Polar Surface Area234 Ų
Heavy Atom Count44
Formal Charge0
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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