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Chemical structure of Saponin C, from Liriope muscari

GC38987

Saponin C, from Liriope muscari

Also known as (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Saponin C, from Liriope muscari is isolated from Liriope muscari

ChemicalCAS130551-41-6MW871.02FormulaC44H70O17
CAS number
130551-41-6
Molecular weight
871.02
Formula
C44H70O17
Solubility
DMSO ： 100 mg/mL (114·81 mM; Need ultrasonic)
InChIKey
XTGHTMMHUVFPBQ-ZUTFNMMGSA-N
Catalogue number
GC38987
Brand
GLPBIO
Computed properties PubChem CID 11007422 · XLogP 0.5 · TPSA 256 Ų · H-bond donors 9
XLogP
0.5
TPSA
256 Ų
H-bond donors
9
H-bond acceptors
17
Rotatable bonds
7
Heavy atoms
61

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)OC1

Computed descriptors from PubChem (CID 11007422), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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