Strophanthidol-D-glucose

3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

CAS: 16479-53-1

Molecular Formula	`C29H44O11`
Molecular Weight	568.7 g/mol
LogP	-1.1
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	568.2884
Heavy Atoms	40
Complexity	1040.0

Chemical Identifiers

CAS Number	16479-53-1
SMILES	`CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)CO)O`
InChIKey	`JWQQCHZKTBEIQC-OXDHUBJPSA-N`

📖 Product Overview

Strophanthidol-D-glucose (CAS: 16479-53-1) is a chemical compound with molecular formula C29H44O11 and molecular weight 568.7 g/mol. Its IUPAC systematic name is 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. LogP -1.1 Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 11 Rotatable Bonds 5 Exact Mass 568.2884 Heavy Atoms 40 Complexity 1040.0 InChI Key: JWQQCHZKTBEIQC-OXDHUBJPSA-N. SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)CO)O.

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