(2r,3r,4s,5s,6r)-2-[(2s,4z)-4-[(1s,2s,4s,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-7-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-ylidene]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula

C₅₆H₉₀O₂₈

SMILES

C[C@@H](C/C=C\1/[C@@]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H](C([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)(C)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C56H90O28/c1-21(19-74-49-42(70)38(66)35(63)29(15-57)78-49)5-8-33-56(4,73)48-28(77-33)14-26-24-7-6-22-13-23(9-11-54(22,2)25(24)10-12-55(26,48)3)76-51-44(72)40(68)45(32(18-60)81-51)82-53-47(84-52-43(71)39(67)36(64)30(16-58)79-52)46(37(65)31(17-59)80-53)83-50-41(69)34(62)27(61)20-75-50/h6,8,21,23-32,34-53,57-73H,5,7,9-20H2,1-4H3/b33-8-/t21-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,34?,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46-,47+,48-,49+,50-,51+,52-,53-,54-,55-,56+/m0/s1

InChIKey

XWKHWYBZUHSDJG-PYDKINNSSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2S,4Z)-4-[(1S,2S,4S,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-7-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-ylidene]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 129900535