β-D-Glucopyranoside, (2α,3β,5α,25S)-27-(β-D-glucopyranosyloxy)-2-hydroxyspirostan-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)-27-(β-D-glucopyranosyloxy)-2-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-Molecular Formula
C51H84O23Molecular Mass
1065.20Cite this Page
β-D-Glucopyranoside, (2α,3β,5α,25S)-27-(β-D-glucopyranosyloxy)-2-hydroxyspirostan-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=373647-11-1 (retrieved ) (CAS RN: 373647-11-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C51H84O23/c1-19-32-29(74-51(19)11-8-22(18-66-51)17-65-45-39(61)38(60)35(57)30(15-52)70-45)13-26-24-7-6-23-12-28(27(54)14-50(23,5)25(24)9-10-49(26,32)4)69-48-44(73-47-41(63)37(59)34(56)21(3)68-47)42(64)43(31(16-53)71-48)72-46-40(62)36(58)33(55)20(2)67-46/h19-48,52-64H,6-18H2,1-5H3/t19-,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+,46-,47-,48+,49-,50-,51+/m0/s1
InChIKey
InChIKey=JNVASJAUPSEUEW-CQVGJKFUSA-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[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)CO9)[H])[H]
Canonical SMILES
OCC1OC(OCC2COC3(OC4CC5C6CCC7CC(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8OC%10OC(C)C(O)C(O)C%10O)C(O)CC7(C)C6CCC5(C)C4C3C)CC2)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranoside, (2α,3β,5α,25S)-27-(β-D-glucopyranosyloxy)-2-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
- Tuberoside L