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Chemical structure of Yadanzioside F

GC64097

Yadanzioside F

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

Yadanzioside F is one of the toxic components found in Brucea javanica· Brucea javanica has demonstrated a variety of antitumoral, antimalarial, and anti-inflammatory properties

ChemicalCAS95258-11-0MW642.6FormulaC29H38O16
CAS number
95258-11-0
Molecular weight
642.6
Formula
C29H38O16
Solubility
Ethanol ： 25 mg/mL (38·90 mM; Need ultrasonic)
InChIKey
BYBDRFPMKPUWDZ-TXPSYQKCSA-N
Catalogue number
GC64097
Brand
GLPBIO
Computed properties PubChem CID 72955 · XLogP -1.3 · TPSA 245 Ų · H-bond donors 6
XLogP
-1.3
TPSA
245 Ų
H-bond donors
6
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
45

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@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 72955), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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