TL;DR: Yadanzioside M (CAS 101559-99-3) is a chemical compound with molecular formula C34H40O16 and molecular weight 704.2316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[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
Also Known As: Yadanzioside M, methyl 15-(benzoyloxy)-2-(hexopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-13,20-epoxypicras-1-en-21-oate, Methyl 3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[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, methyl 3-benzoyloxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate, Picras-1-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
| Molecular Formula | C34H40O16 |
| Molecular Weight | 704.2316 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 245.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 704.2316 Da |
| Heavy Atoms | 50 |
| Complexity | 1440.0 |
| SMILES | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(C(C(C5C2(C=C(C1=O)OC7C(C(C(C(O7)CO)O)O)O)C)O)O)C(=O)OC |
| InChIKey | QHFGKHHBXLUOJV-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yadanzioside M. The TPSA of 245.0 Ų indicates high polarity, suggesting Yadanzioside M may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yadanzioside M has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Yadanzioside M is 101559-99-3.
The molecular formula of Yadanzioside M is C34H40O16.
The molecular weight of Yadanzioside M is 704.2316 g/mol.
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