(2r,3r,4s,5s,6r)-2-[(1s,2s,4s,4's,5'r,6r,7s,8r,9s,12s,13r,16s)-16-[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3r,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-4'-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula

C₅₆H₉₀O₂₈

SMILES

C[C@@H]1CO[C@@]2(C[C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]([C@H]4[C@@H](O2)C[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@@H](C7)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H](C([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)C)C

InChI

InChI=1S/C56H90O28/c1-20-18-74-56(13-29(20)76-51-43(70)39(66)36(63)30(14-57)77-51)21(2)34-28(84-56)12-26-24-6-5-22-11-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(33(17-60)80-50)81-53-48(83-52-44(71)40(67)37(64)31(15-58)78-52)47(38(65)32(16-59)79-53)82-49-42(69)35(62)27(61)19-73-49/h5,20-21,23-53,57-72H,6-19H2,1-4H3/t20-,21+,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-/m1/s1

InChIKey

CZAXCTKSBPZZMR-OVFKHDIBSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(1S,2S,4S,4'S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-4'-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 129906765