Desaroside structure

Desaroside

3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

CAS: 101418-20-6
Molecular Formula C30H44O9
Molecular Weight 548.7 g/mol
LogP 0.7
Topological Polar Surface Area 132.0 A2
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
Rotatable Bonds 4
Exact Mass 548.2985
Heavy Atoms 39
Complexity 1040.0

Chemical Identifiers

CAS Number 101418-20-6
SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(=O)CC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O
InChIKey OFHFAWOWNDPPEH-ACXZCSKNSA-N

📖 Product Overview

Desaroside (CAS: 101418-20-6) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.7 g/mol. Its IUPAC systematic name is 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. LogP 0.7 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 548.2985 Heavy Atoms 39 Complexity 1040.0 InChI Key: OFHFAWOWNDPPEH-ACXZCSKNSA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(=O)CC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O.

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