Sennosides

9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid

CAS: 85085-71-8

Molecular Formula	`C42H38O20`
Molecular Weight	862.7 g/mol
LogP	1.2
Topological Polar Surface Area	348.0 A2
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	20
Rotatable Bonds	9
Exact Mass	862.1956
Heavy Atoms	62
Complexity	1550.0

Chemical Identifiers

CAS Number	85085-71-8
SMILES	`C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O`
InChIKey	`IPQVTOJGNYVQEO-UHFFFAOYSA-N`

📖 Product Overview

Sennosides (CAS: 85085-71-8) is a chemical compound with molecular formula C42H38O20 and molecular weight 862.7 g/mol. Its IUPAC systematic name is 9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid. LogP 1.2 Topological Polar Surface Area 348.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 20 Rotatable Bonds 9 Exact Mass 862.1956 Heavy Atoms 62 Complexity 1550.0 InChI Key: IPQVTOJGNYVQEO-UHFFFAOYSA-N. SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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