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Chemical structure of Yadanzioside A

GC37949

Yadanzioside A

Also known as methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-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

Yadanziolide A, a quassinoid glycoside from Brucea javanica, has antitumor activity

ChemicalCAS95258-15-4MW684.68FormulaC32H44O16
CAS number
95258-15-4
Molecular weight
684.68
Formula
C32H44O16
Solubility
Soluble in DMSO
InChIKey
QDQJWSSPAMZRIA-AIWMZPBQSA-N
Catalogue number
GC37949
Brand
GLPBIO
Computed properties PubChem CID 72956 · XLogP 0 · TPSA 245 Ų · H-bond donors 6
XLogP
0
TPSA
245 Ų
H-bond donors
6
H-bond acceptors
16
Rotatable bonds
9
Heavy atoms
48

SMILES C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)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

Computed descriptors from PubChem (CID 72956), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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