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Chemical structure of Formosanin C

GC36065

Formosanin C

Also known as (2S,3S,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formosanin C is a diosgenin saponin isolated from Paris formosana Hayata and an immunomodulator with antitumor activity· Formosanin C induces apoptosis

ChemicalCAS50773-42-7MW1015.18FormulaC51H82O20
CAS number
50773-42-7
Molecular weight
1015.18
Formula
C51H82O20
Solubility
Soluble in DMSO
InChIKey
OZIHYFWYFUSXIS-KORJSKJVSA-N
Catalogue number
GC36065
Brand
GLPBIO
Computed properties PubChem CID 73597 · XLogP 0.2 · TPSA 295 Ų · H-bond donors 10
XLogP
0.2
TPSA
295 Ų
H-bond donors
10
H-bond acceptors
20
Rotatable bonds
9
Heavy atoms
71

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)O[C@H]2[C@@H]([C@@H](C([C@@H](O2)C)O)O)O)C)C)C)OC1

Computed descriptors from PubChem (CID 73597), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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