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Chemical structure of Lanatoside C

GC32468

Lanatoside C

Also known as [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate

Lanatoside C is a cardiac glycoside, can be used in the treatment of congestive heart failure and cardiac arrhythmia

ChemicalCAS17575-22-3MW985.12FormulaC49H76O20
CAS number
17575-22-3
Molecular weight
985.12
Formula
C49H76O20
Solubility
Ethanol ： 2 mg/mL (2·03 mM)
InChIKey
JAYAGJDXJIDEKI-UHFFFAOYSA-N
Catalogue number
GC32468
Brand
GLPBIO
Computed properties PubChem CID 3879 · XLogP 0.2 · TPSA 288 Ų · H-bond donors 8
XLogP
0.2
TPSA
288 Ų
H-bond donors
8
H-bond acceptors
20
Rotatable bonds
12
Heavy atoms
69

SMILES CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O

Computed descriptors from PubChem (CID 3879), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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