Scillicyanoside

[(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

CAS: 11005-49-5

Molecular Formula	`C32H42O12`
Molecular Weight	618.7 g/mol
LogP	-0.1
Topological Polar Surface Area	189.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	618.26764
Heavy Atoms	44
Complexity	1280.0

Chemical Identifiers

CAS Number	11005-49-5
SMILES	`CC(=O)OC1CC2(C3CCC4(C=CCCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C=O)OC6C(C(C(C(O6)CO)O)O)O)O`
InChIKey	`DDAAWSFCUWNNES-VZVRGTEASA-N`

📖 Product Overview

Scillicyanoside (CAS: 11005-49-5) is a chemical compound with molecular formula C32H42O12 and molecular weight 618.7 g/mol. Its IUPAC systematic name is [(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate. LogP -0.1 Topological Polar Surface Area 189.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 12 Rotatable Bonds 7 Exact Mass 618.26764 Heavy Atoms 44 Complexity 1280.0 InChI Key: DDAAWSFCUWNNES-VZVRGTEASA-N. SMILES: CC(=O)OC1CC2(C3CCC4(C=CCCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C=O)OC6C(C(C(C(O6)CO)O)O)O)O.

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