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Chemical structure of Platyconic acid A

GC63649

Platyconic acid A

Also known as (2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Platyconic Acid A is an active component of changkil saponins from platycodon grandiflorum and can be used for the research of reducing airway inflammation

ChemicalCAS68051-23-0MW1239.31FormulaC57H90O29
CAS number
68051-23-0
Molecular weight
1239.31
Formula
C57H90O29
Solubility
H2O ： 25 mg/mL (20·17 mM; Need ultrasonic)
InChIKey
MMBAMPXMNQQFQO-JQIGHYGPSA-N
Catalogue number
GC63649
Brand
GLPBIO
Computed properties PubChem CID 70698300 · XLogP -3.8 · TPSA 470 Ų · H-bond donors 17
XLogP
-3.8
TPSA
470 Ų
H-bond donors
17
H-bond acceptors
29
Rotatable bonds
15
Heavy atoms
86

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@]7(CO)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O

Computed descriptors from PubChem (CID 70698300), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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