Yadanzioside A

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

CAS: 95258-15-4

Molecular Formula	`C32H44O16`
Molecular Weight	684.7 g/mol
Topological Polar Surface Area	245.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	9
Exact Mass	684.26294
Heavy Atoms	48
Complexity	1380.0

Chemical Identifiers

CAS Number	95258-15-4
SMILES	`CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC`
InChIKey	`QDQJWSSPAMZRIA-AIWMZPBQSA-N`

📖 Product Overview

Yadanzioside A (CAS: 95258-15-4) is a chemical compound with molecular formula C32H44O16 and molecular weight 684.7 g/mol. Its IUPAC systematic name is 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. Topological Polar Surface Area 245.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 16 Rotatable Bonds 9 Exact Mass 684.26294 Heavy Atoms 48 Complexity 1380.0 InChI Key: QDQJWSSPAMZRIA-AIWMZPBQSA-N. SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC.

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