Trillfurostanoside g

Structural Information

Molecular Formula

C₅₇H₉₆O₂₉

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7C[C@H]([C@]6(C5)O)O)C[C@H]9[C@@]8([C@@H]([C@](O9)(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)O)C)C)CO)C)O)O)O

InChI

InChI=1S/C57H96O29/c1-20(19-76-48-40(68)38(66)35(63)29(17-58)81-48)8-13-56(74)24(5)57(75)32(86-56)15-28-26-14-31(60)55(73)16-25(9-11-53(55,6)27(26)10-12-54(28,57)7)80-52-47(85-50-42(70)37(65)34(62)22(3)78-50)44(72)46(30(18-59)82-52)84-51-43(71)39(67)45(23(4)79-51)83-49-41(69)36(64)33(61)21(2)77-49/h20-52,58-75H,8-19H2,1-7H3/t20-,21+,22+,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-,57-/m1/s1

InChIKey

UGOIXOPVIZAGKG-WQZKAANRSA-N

Compound name

(1R,2S,4S,6R,7S,8S,9S,12S,13R,16S,18R,19R)-16-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,8,18,19-tetrol

Related CIDs

• CID 171121275