(2r,3r,4s,5s,6r)-2-[(2s,4z)-4-[(1s,2s,4s,7r,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-methoxy-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

C₅₇H₉₂O₂₈

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)OC)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C57H92O28/c1-22(20-75-50-43(71)39(67)36(64)30(16-58)79-50)6-9-34-57(4,74-5)49-29(78-34)15-27-25-8-7-23-14-24(10-12-55(23,2)26(25)11-13-56(27,49)3)77-52-45(73)41(69)46(33(19-61)82-52)83-54-48(85-53-44(72)40(68)37(65)31(17-59)80-53)47(38(66)32(18-60)81-54)84-51-42(70)35(63)28(62)21-76-51/h7,9,22,24-33,35-54,58-73H,6,8,10-21H2,1-5H3/b34-9-/t22-,24-,25+,26-,27-,28+,29-,30+,31+,32+,33+,35?,36+,37+,38+,39-,40-,41+,42+,43+,44+,45+,46-,47-,48+,49-,50+,51-,52+,53-,54-,55-,56-,57-/m0/s1

InChIKey

SGUVPYKKYYCRAY-UFCTXFKKSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2S,4Z)-4-[(1S,2S,4S,7R,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-methoxy-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 129907212