β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

259810-65-6
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CAS Name

β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C45H74O18

Molecular Mass

903.06

Cite this Page

β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=259810-65-6 (retrieved 2024-09-20) (CAS RN: 259810-65-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H74O18/c1-18(17-57-41-38(55)36(53)33(50)29(15-46)61-41)6-9-26-19(2)31-28(59-26)13-24-22-8-7-21-12-27(25(48)14-45(21,5)23(22)10-11-44(24,31)4)60-43-40(37(54)34(51)30(16-47)62-43)63-42-39(56)35(52)32(49)20(3)58-42/h18,20-25,27-43,46-56H,6-17H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-/m0/s1

InChIKey

InChIKey=TUOFCGLGPSOPQN-NVVUTIDNSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H](O)C4)[H])[H])[H])(C[C@]7([C@@]2(C(C)=C(CC[C@@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)O7)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC=2OC3CC4C5CCC6CC(OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C(O)CC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • Tuberoside A
  • Tuberoside A (Allium)