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Chemical structure of Timosaponin C

GC60366

Timosaponin C

Also known as (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Timosaponin C is isolated from Rhizoma Anemarrhenae

ChemicalCAS185432-00-2MW903.06FormulaC45H74O18
CAS number
185432-00-2
Molecular weight
903.06
Formula
C45H74O18
InChIKey
ROHLIYKWVMBBFX-AMMIEGAUSA-N
Catalogue number
GC60366
Brand
GLPBIO
Computed properties PubChem CID 101389834 · XLogP 0.9 · TPSA 287 Ų · H-bond donors 11
XLogP
0.9
TPSA
287 Ų
H-bond donors
11
H-bond acceptors
18
Rotatable bonds
13
Heavy atoms
63

SMILES CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

Computed descriptors from PubChem (CID 101389834), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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