β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
CAS Registry Number®
CAS Name
β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-Molecular Formula
C51H84O22Molecular Mass
1049.20Cite this Page
β-D-Glucopyranoside, (2α,3β,5α,25S)-26-(β-D-glucopyranosyloxy)-2-hydroxyfurost-20(22)-en-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=259810-67-8 (retrieved ) (CAS RN: 259810-67-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C51H84O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h19,21-27,29-49,52-64H,7-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26-,27+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1
InChIKey
InChIKey=ZGGKEHAJPIMSQR-YONFTNNBSA-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]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](CO)O5)[C@H](O)C4)[H])[H])[H])(C[C@]8([C@@]2(C(C)=C(CC[C@@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C)O8)[H])[H])[H]
Canonical SMILES
OCC1OC(OCC(C)CCC=2OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)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 O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
- Tuberoside B
- Tuberoside B (Allium)