(2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
CAS Registry Number®
CAS Name
(2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosideMolecular Formula
C57H94O30Molecular Mass
1259.34Cite this Page
(2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1092797-43-7 (retrieved ) (CAS RN: 1092797-43-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C57H94O30/c1-19-5-8-57(76-18-19)20(2)34-28(87-57)10-23-21-9-25(63)24-11-27(26(64)12-56(24,4)22(21)6-7-55(23,34)3)77-50-44(74)41(71)46(33(17-62)82-50)83-54-49(48(38(68)32(16-61)81-54)85-52-43(73)40(70)36(66)30(14-59)79-52)86-53-45(75)47(37(67)31(15-60)80-53)84-51-42(72)39(69)35(65)29(13-58)78-51/h19-54,58-75H,5-18H2,1-4H3/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+,52+,53+,54+,55+,56-,57-/m1/s1
InChIKey
InChIKey=PYMZXFZCGMNRKJ-MUNRAQMESA-N
SMILES
C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)[C@@]([C@H](O)C4)(C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](CO)O8)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@H]6O)[C@H](O)C5)[H])[H])[H])[H])(O[C@@]%11([C@H]3C)CC[C@@H](C)CO%11)[H])[H]
Canonical SMILES
OCC1OC(OC2C(O)C(OC(CO)C2O)OC3C(OC(CO)C(O)C3OC4OC(CO)C(O)C(O)C4O)OC5C(O)C(O)C(OC6CC7C(O)CC8C(CCC9(C)C8CC%10OC%11(OCC(C)CC%11)C(C)C%109)C7(C)CC6O)OC5CO)C(O)C(O)C1O
Other Names for this Substance
- β-D-Galactopyranoside, (2α,3β,5α,6β,25R)-2,6-dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-
- (2α,3β,5α,6β,25R)-2,6-Dihydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
- Leucospiroside A
- (25R)-5α-Spirostane-2α,3β,6β-triol 3-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside