(2r,3r,4s,5s,6r)-2-[(2s,4r)-4-[(1s,2s,4s,8s,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-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-4-methoxy-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula

C₅₇H₉₂O₂₈

SMILES

CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=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@@H](C[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC

InChI

InChI=1S/C57H92O28/c1-21(19-75-51-44(71)40(67)37(64)31(15-58)79-51)12-30(74-5)47-22(2)35-29(78-47)14-27-25-7-6-23-13-24(8-10-56(23,3)26(25)9-11-57(27,35)4)77-53-46(73)42(69)48(34(18-61)82-53)83-55-50(85-54-45(72)41(68)38(65)32(16-59)80-54)49(39(66)33(17-60)81-55)84-52-43(70)36(63)28(62)20-76-52/h6,21,24-46,48-55,58-73H,7-20H2,1-5H3/t21-,24-,25+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35-,36?,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,48-,49-,50+,51+,52-,53+,54-,55-,56-,57-/m0/s1

InChIKey

SBRMIYMCGUAWKB-YJKKOXDPSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2S,4R)-4-[(1S,2S,4S,8S,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-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-4-methoxy-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 129906792
• CID 129907159