Catalog Number:
AG0013DN
Chemical Name:
β-D-Glucopyranoside, propyl O-β-D-galactopyranosyl-(1→2)-O-α-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-
CAS Number:
137494-11-2
Molecular Formula:
C26H46O20
Molecular Weight:
678.6314
IUPAC Name:
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-propyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C26H46O20/c1-2-3-26(46-25-20(39)17(36)14(33)10(5-28)42-25)22(44-23-18(37)12(31)8(30)7-40-23)21(15(34)11(6-29)45-26)43-24-19(38)16(35)13(32)9(4-27)41-24/h8-25,27-39H,2-7H2,1H3/t8-,9-,10-,11-,12+,13+,14-,15-,16+,17+,18-,19-,20-,21+,22-,23-,24+,25+,26+/m1/s1
InChI Key:
ZIVFVFQACYACSZ-XFCRROBZSA-N
SMILES:
CCC[C@@]1(O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O