3beta-O-(beta-Xylopyranosyl(1-2),beta-Xylopyranosyl(1-3)beta-Glucopyranosyl(1-3)(beta-Galactopyranosyl(1-2))-beta-Glucopyranosyl)Spirostane
[CAS# 128232-93-9]

Identification

• Name: 3beta-O-(beta-Xylopyranosyl(1-2),beta-Xylopyranosyl(1-3)beta-Glucopyranosyl(1-3)(beta-Galactopyranosyl(1-2))-beta-Glucopyranosyl)Spirostane
• Synonyms: Agaveside B; Beta-D-Glucopyranoside, (3Beta,5Alpha,25R)-Spirostan-3-Yl O-Beta-D-Galactopyranosyl-(1-2)-O-(O-Beta-D-Xylopyranosyl-(1-2)-O-(Beta-D-Xylopyranosyl-(1-3))-Beta-D-Glucopyranosyl-(1-3))-
• Molecular Formula: C₅₅H₉₀O₂₆
• Molecular Weight: 1167.30
• CAS Registry Number: 128232-93-9
• SMILES: C(C9C(O)C(C(C(OC7C(C(OC3CCC2(C1CCC4(C(C1CCC2C3)CC5OC6(C(C45)C)OCC(CC6)C)C)C)OC(C7O)CO)OC8C(C(O)C(C(O8)CO)O)O)O9)OC%10C(C(O)C(CO%10)O)O)OC%11C(C(O)C(CO%11)O)O)O
• InChI: 1S/C55H90O26/c1-21-7-12-55(72-18-21)22(2)34-30(81-55)14-27-25-6-5-23-13-24(8-10-53(23,3)26(25)9-11-54(27,34)4)73-51-46(80-50-43(69)40(66)37(63)31(15-56)74-50)45(39(65)32(16-57)75-51)78-52-47(79-49-42(68)36(62)29(60)20-71-49)44(38(64)33(17-58)76-52)77-48-41(67)35(61)28(59)19-70-48/h21-52,56-69H,5-20H2,1-4H3
• InChIKey: OACSKEOLIDHUQF-UHFFFAOYSA-N

Properties

• Density: 1.528g/cm³ (Cal.)