110044-82-1 Purity
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Specification
The PubChem CID of Bacoside A is 92043183.
The molecular formula of Bacoside A is C41H68O13.
Yes, Bacoside A is a triterpenoid saponin.
The molecular weight of Bacoside A is 769.0 g/mol.
Bacoside A was created in PubChem on November 11, 2015.
Bacoside A was last modified in PubChem on December 30, 2023.
The IUPAC name of Bacoside A is (5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one.
The InChIKey of Bacoside A is LKCTWIIDXXXXAR-CYGHALRTSA-N.
The canonical SMILES of Bacoside A is CC(=CCCC(C)(C1C2CCC3C(C2(CC1=O)C)(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)OC6C(C(C(CO6)O)O)O)O)O)CO)C)O)C.
Bacoside A has 13 hydrogen bond acceptor counts.