Catalog Number:
AG000H3U
Chemical Name:
β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-α-L-arabinopyranosyl-(1→6)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)]-, 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
CAS Number:
115909-22-3
Molecular Formula:
C36H48O19
Molecular Weight:
784.7549
MDL Number:
MFCD09752673
IUPAC Name:
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1
InChI Key:
KLQXMRBGMLHBBQ-DQTDZZOCSA-N
SMILES:
COc1ccc(cc1O)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O
UNII:
8G0I99W72T
