Tigogenin 3-O-beta-D-Glucopyranosyl(1-2)(beta-D-Glucopyranosyl(1-3)(6-O-Acetyl-beta-D-Glucopyranosyl))(1-4)-beta-D-Galactopyranoside
[CAS# 143049-27-8]

Identification

• Name: Tigogenin 3-O-beta-D-Glucopyranosyl(1-2)(beta-D-Glucopyranosyl(1-3)(6-O-Acetyl-beta-D-Glucopyranosyl))(1-4)-beta-D-Galactopyranoside
• Synonyms: Beta-D-Galactopyranoside, (3Beta,5Alpha,25R)-Spirostan-3-Yl O-Beta-D-Glucopyranosyl-(1-2)-O-(Beta-D-Glucopyranosyl-(1-3))-O-6-O-Acetyl-Beta-D-Glucopyranosyl-(1-4)-
• Molecular Formula: C₅₃H₈₆O₂₄
• Molecular Weight: 1107.25
• CAS Registry Number: 143049-27-8
• SMILES: [C@@H]23[C@@H](OC1(OC[C@@H](CC1)C)[C@H]2C)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)[C@]8(O[C@H]([C@H](O)[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO)O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)COC(=O)C)C)C
• InChI: 1S/C53H86O24/c1-21-8-13-52(69-19-21)22(2)34-29(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)53(77-49-44(67)41(64)37(60)33(72-49)20-68-23(3)57)46(74-48-43(66)40(63)36(59)31(17-55)71-48)45(38(61)32(18-56)76-53)73-47-42(65)39(62)35(58)30(16-54)70-47/h21-22,24-49,54-56,58-67H,6-20H2,1-5H3/t21-,22+,24?,25?,26?,27?,28?,29+,30-,31-,32+,33-,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,46-,47+,48+,49+,50+,51+,52?,53+/m1/s1
• InChIKey: DYIQIQXTTUXBQD-DZYXBILISA-N

Properties

• Density: 1.503g/cm³ (Cal.)