BGC > Product Search > Polygalasaponin xxxi | 79103-90-5

Molecular Formula: C75H112O36

Description :
Polygalasaponin XXXI is a triterpenoid compound found in the herbs of Polygala japonica Houtt. In vivo, Polygalasaponin XXXI exhibits inhibitory effect on proliferation of mouse adapted influenza virus A/PR/8/34 and cyclic AMP phosphodiesterase.

• Molecular Weight :1589.685
• Purity :> 98%

Molecular Formula :
C75H112O36
Canonical SMILES :
CC1C(C(C(C(O1)OC(=O)C23CCC(CC2C4=CCC5C(C4(CC3)CO)(CCC6C5(CC(C(C6(C)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)(C)C)OC8C(C(C(C(O8)C)OC9C(C(C(CO9)O)OC1C(C(C(CO1)O)O)O)O)OC1C(C(CO1)(CO)O)O)O)O)OC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC
InChI :
InChI=1S/C75H112O36/c1-31-53(105-44(82)14-11-33-21-39(96-8)56(98-10)40(22-33)97-9)50(88)58(109-64-52(90)57(108-66-59(91)75(95,29-78)30-101-66)54(32(2)102-64)106-62-51(89)55(38(81)27-100-62)107-61-48(86)45(83)37(80)26-99-61)65(103-31)111-68(94)73-18-17-69(3,4)23-35(73)34-12-13-42-70(5)24-36(79)60(110-63-49(87)47(85)46(84)41(25-76)104-63)72(7,67(92)93)43(70)15-16-71(42,6)74(34,28-77)20-19-73/h11-12,14,21-22,31-32,35-38,41-43,45-55,57-66,76-81,83-91,95H,13,15-20,23-30H2,1-10H3,(H,92,93)/b14-11+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54+,55+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72+,73+,74+,75-/m1/s1
InChIKey :
HDLNHPZHTNFCNP-JJEFWQELSA-N
Solubility :
Soluble in DMSO
Appearance :
White to off-white (Solid)
Storage : 4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Synonyms :
Polygalasaponin XXXI|79103-90-5|Polygalasaponin XXXI;Onjisaponin F|AKOS037514965

More details are to be found here