Yadanzioside B

methyl (1R,2S,3R,6R,8R,12S,13S,14R,15R,16S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(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-9-ene-17-carboxylate

CAS: 95258-18-7

Molecular Formula	`C32H44O17`
Molecular Weight	700.7 g/mol
LogP	-1.6
Topological Polar Surface Area	265.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	17
Rotatable Bonds	9
Exact Mass	700.2579
Heavy Atoms	49
Complexity	1430.0

Chemical Identifiers

CAS Number	95258-18-7
SMILES	`CC1=C(C(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O`
InChIKey	`ZIFQTRDEOHDYPY-XXVZPOSHSA-N`

📖 Product Overview

Yadanzioside B (CAS: 95258-18-7) is a chemical compound with molecular formula C32H44O17 and molecular weight 700.7 g/mol. Its IUPAC systematic name is methyl (1R,2S,3R,6R,8R,12S,13S,14R,15R,16S)-12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[(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-9-ene-17-carboxylate. LogP -1.6 Topological Polar Surface Area 265.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 17 Rotatable Bonds 9 Exact Mass 700.2579 Heavy Atoms 49 Complexity 1430.0 InChI Key: ZIFQTRDEOHDYPY-XXVZPOSHSA-N. SMILES: CC1=C(C(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O.

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