input word = C00033929

Metabolite InformationStructural formula
Name Hydrocosisaponin D
(-)-Hydrocosisaponin D
Formula C57H92O26
Mw 1192.58768311
CAS RN 1033425-38-5
C_ID C00033929 ,
InChIKey PLIYEYZWOLSSQA-ZIEOPZQCNA-N
InChICode InChI=1S/C57H92O26/c1-23(60)76-22-57-26(16-52(3,4)47(46(57)73)77-24(2)61)25-10-11-32-54(7)14-13-34(53(5,6)31(54)12-15-55(32,8)56(25,9)17-33(57)63)81-51-45(83-50-42(71)39(68)37(66)29(19-59)79-50)43(72)44(82-49-41(70)38(67)36(65)28(18-58)78-49)30(80-51)21-75-48-40(69)35(64)27(62)20-74-48/h10,26-51,58-59,62-73H,11-22H2,1-9H3/t26-,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+,54+,55-,56-,57+/m1/s1
SMILES C1([C@H]([C@@H]([C@]2([C@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)C)C)COC(=O)C)O)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHydrocotyle sibthorpioides Ref.
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OrganismHydrocotyle sibthorpioides
ReferenceHuang,Phytochem.,69,(2008),1597