Soyasaponin II

Category	Cytomegalovirus (CMV)
CAS	55319-36-3
Description	Soyasaponin II is found in Glycine max, it shows antiviral effects.

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Synonyms	Soyasaponin Bc; Soyasaponin B-II; Soysaponin II
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Molecular Weight	913.09
Molecular Formula	C47H76O17
Canonical SMILES	CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
InChI	InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
InChIKey	IBZLICPLPYSFNZ-IVWMTKFPSA-N
Melting Point	212 - 215 °C
Purity	> 95%
Solubility	Methanol; Water
Appearance	Powder
Storage	-20°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Complexity	1760
Exact Mass	912.50825095
PSA	274.75000
Target	HSV; CMV; Influenza Virus; HIV; NOD-like Receptor (NLR)
XLogP3-AA	2.4