(3beta,5alpha,25R)-Spirostan-3-Yl O-6-Deoxy-alpha-L-Mannopyranosyl-(1-2)-O-(beta-D-Glucopyranosyl-(1-3))-O-beta-D-Glucopyranosyl-(1-3)-O-(O-beta-D-Xylopyranosyl-(1-4)-6-Deoxy-alpha-L-Manopyranosyl-(1-2))-beta-D-Glucopyranoside
[CAS# 140400-46-0]

Identification

• Name: (3beta,5alpha,25R)-Spirostan-3-Yl O-6-Deoxy-alpha-L-Mannopyranosyl-(1-2)-O-(beta-D-Glucopyranosyl-(1-3))-O-beta-D-Glucopyranosyl-(1-3)-O-(O-beta-D-Xylopyranosyl-(1-4)-6-Deoxy-alpha-L-Manopyranosyl-(1-2))-beta-D-Glucopyranoside
• Synonyms: 3Beta-(Alpha-L-Rhamnosyl-(1-2),Beta-D-Glucopyranosyl-(1-3)-Beta-D-Glucopyranosyl(Beta-D-Xylopyranosyl-(1-4)-Alpha-L-Rhamnopyranosyl-(1-2))-Beta-D-Glucopyranosyl)-25R-5Alpha-Spirostane; Agaveside D; Beta-D-Glucopyranoside, (3Beta,5Alpha,25R)-Spirostan-3-Yl O-6-Deoxy-Alpha-L-Mannopyranosyl-(1-2)-O-(Beta-D-Glucopyranosyl-(1-3))-O-Beta-D-Glucopyranosyl-(1-3)-O-(O-Beta-D-Xylopyranosyl-(1-4)-6-Deoxy-Alpha-L-Mannopyranocyl-(1-2))-
• Molecular Formula: C₆₂H₁₀₂O₃₀
• Molecular Weight: 1327.47
• CAS Registry Number: 140400-46-0
• SMILES: C(O)C2C(OC1OC(C)C(O)C(C1O)O)C(C(C(O2)OC3C(OC(CO)C(C3OC6C(OC4C(C(C(C(O4)C)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/C62H102O30/c1-22-9-14-62(80-20-22)23(2)36-32(92-62)16-30-28-8-7-26-15-27(10-12-60(26,5)29(28)11-13-61(30,36)6)83-58-52(91-57-48(78)44(74)49(35(19-65)86-57)87-55-46(76)42(72)37(67)24(3)81-55)51(41(71)33(17-63)84-58)89-59-53(90-56-47(77)43(73)38(68)25(4)82-56)50(40(70)34(18-64)85-59)88-54-45(75)39(69)31(66)21-79-54/h22-59,63-78H,7-21H2,1-6H3
• InChIKey: NAQDYYJRPQGJHX-UHFFFAOYSA-N

Properties

• Density: 1.534g/cm³ (Cal.)