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Yadanzioside G

CAT: 0804-HY-N7191-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7191-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Yadanzioside G is a glucoside that can be isolated from Brucu javanica[1].
CAS Number
95258-17-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/yadanzioside-g.html
Solubility
10 mM in DMSO
Smiles
C[C@@H]([C@](C[C@@](O1)2[H])3[H])C(C(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)=C[C@]3(C)[C@]5([H])[C@]2(CO[C@@]6([C@@H](O)[C@@H]5O)C(OC)=O)[C@@]6([H])[C@@H](OC(/C=C(C)/C(C)(OC(C)=O)C)=O)C1=O)=O
Molecular Formula
C36H48O18
Molecular Weight
768.76
References & Citations
[1]Fukamiya N, et al. Antitumor agents, 127. Bruceoside C, a new cytotoxic quassinoid glucoside, and related compounds from Brucea javanica. J Nat Prod. 1992 Apr;55 (4) :468-75.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

CID 6436228

CID 6436228 has been reported in Brucea antidysenterica and Brucea javanica with data available.

CAS Number95258-17-6
PubChem CID6436228
IUPAC Namemethyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Molecular FormulaC36H48O18
Molecular Weight768.8
XLogP0.1
Topological Polar Surface Area271
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Heavy Atom Count54
Formal Charge0
Complexity1650
SMILES
C[C@H]1[C@@H]2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC
InChI
InChI=1S/C36H48O18/c1-13(33(4,5)54-15(3)38)8-20(39)53-26-28-35-12-49-36(28,32(47)48-7)29(45)25(44)27(35)34(6)10-17(21(40)14(2)16(34)9-19(35)52-30(26)46)50-31-24(43)23(42)22(41)18(11-37)51-31/h8,10,14,16,18-19,22-29,31,37,41-45H,9,11-12H2,1-7H3/b13-8+/t14-,16-,18+,19+,22+,23-,24+,25+,26+,27+,28+,29-,31+,34-,35+,36?/m0/s1
InChIKey
YNYBTCKMNHXXGZ-DKGNXMDVSA-N
Chemical Structure
2D Structure
2D structure of CID 6436228
CAS: 95258-17-6
CID: 6436228
Formula: C36H48O18
MW: 768.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight768.8
XLogP30.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Exact Mass768.28406468
Monoisotopic Mass768.28406468
Topological Polar Surface Area271 Ų
Heavy Atom Count54
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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