(3beta,5alpha,25R)-Spirostan-3-Yl O-beta-D-Xylopyranosyl-(1-3)-O-beta-D-Galactopyranosyl-(1-2)-O-(O-beta-D-Xylopyranosyl-(1-2)-O-(beta-D-Xylopyranosyl-(1-3))-beta-D-Glucopyranosyl-(1-3))-beta-D-Glucopyranoside
[CAS# 128232-92-8]

Identification

• Name: (3beta,5alpha,25R)-Spirostan-3-Yl O-beta-D-Xylopyranosyl-(1-3)-O-beta-D-Galactopyranosyl-(1-2)-O-(O-beta-D-Xylopyranosyl-(1-2)-O-(beta-D-Xylopyranosyl-(1-3))-beta-D-Glucopyranosyl-(1-3))-beta-D-Glucopyranoside
• Synonyms: (3Beta,5Alpha,25R)-Spirostan-3-Yl O-Beta-D-Xylopyranosyl-(1-3)-O-Beta-D-Galactopyranosyl-(1-2)-O-(O-Beta-D-Xylopyranosyl-(1-2)-O-(Beta-D-Xylopyranosyl-(1-3))-Beta-D-Glucopyranosyl-(1-3))-Beta-D-Glucopyranoside; 3-Beta-O-(Beta-Xylopyranosyl)(1-2),Beta-Xylopyranosyl(1-3),Beta-(Glucopyranosyl(1-3)(Beta-Xylopyranosyl(1-3)Beta-Galactopyranosyl(1-2))-Beta-Glucopyranosyl)Spirostane; Agaveside A
• Molecular Formula: C₆₀H₉₈O₃₀
• Molecular Weight: 1299.42
• CAS Registry Number: 128232-92-8
• SMILES: C(O)C2C(OC1C(C(C(CO1)O)O)O)C(C(C(O2)OC3C(OC(CO)C(C3OC6C(OC4C(C(C(CO4)O)O)O)C(OC5C(C(C(CO5)O)O)O)C(C(O6)CO)O)O)OC%12CCC%11(C%10CCC9(C8C(C)C7(OCC(C)CC7)OC8CC9C%10CCC%11C%12)C)C)O)O
• InChI: 1S/C60H98O30/c1-22-7-12-60(80-18-22)23(2)36-32(90-60)14-28-26-6-5-24-13-25(8-10-58(24,3)27(26)9-11-59(28,36)4)81-56-50(89-55-46(76)42(72)47(35(17-63)84-55)85-52-43(73)37(67)29(64)19-77-52)49(41(71)33(15-61)82-56)87-57-51(88-54-45(75)39(69)31(66)21-79-54)48(40(70)34(16-62)83-57)86-53-44(74)38(68)30(65)20-78-53/h22-57,61-76H,5-21H2,1-4H3
• InChIKey: HZGNQHFLYATDIS-UHFFFAOYSA-N

Properties

• Density: 1.561g/cm³ (Cal.)