β-D-Glucopyranoside, (2α,3β,5α,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-

CAS Registry Number®

366464-43-9
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CAS Name

β-D-Glucopyranoside, (2α,3β,5α,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-

Molecular Formula

C45H74O18

Molecular Mass

903.06

Cite this Page

β-D-Glucopyranoside, (2α,3β,5α,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=366464-43-9 (retrieved 2024-09-21) (CAS RN: 366464-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=VFFZTNVCORWDDD-IZWCFNPMSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@@](CC4)(C[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO)O6)[C@H](O)C5)[H])[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](CO)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3CCC4C(CCC5(C)C4CC6OC7(OCC(CO)CC7)C(C)C65)C3(C)CC2O)C(OC8OC(C)C(O)C(O)C8O)C(O)C1OC9OC(C)C(O)C(O)C9O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,5α,25S)-2,27-dihydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
  • Tuberoside
  • Tuberoside K
  • Tuberoside (Allium tuberosum)