input word = C00032270

Metabolite InformationStructural formula
Name Taccasteroside A
(-)-Taccasteroside A
Formula C70H116O38
Mw 1564.71445935
CAS RN 839678-63-6
C_ID C00032270 ,
InChIKey HJGNLNQZLLETFV-OJEXFUKCNA-N
InChICode InChI=1S/C70H116O38/c1-24(6-7-25(2)30-10-11-31-29-9-8-27-16-28(12-14-69(27,4)32(29)13-15-70(30,31)5)96-63-51(88)44(81)40(77)33(17-71)97-63)26(3)61(94)108-68-60(47(84)43(80)39(103-68)23-95-62-54(91)48(85)57(36(20-74)100-62)104-64-52(89)45(82)41(78)34(18-72)98-64)107-67-56(93)50(87)59(38(22-76)102-67)106-66-55(92)49(86)58(37(21-75)101-66)105-65-53(90)46(83)42(79)35(19-73)99-65/h8,24-26,28-60,62-68,71-93H,6-7,9-23H2,1-5H3/t24-,25-,26+,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-,58-,59-,60-,62-,63-,64+,65+,66+,67+,68+,69+,70-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@@H](C)[C@H](C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaccaceaeTacca chantrieri Ref.
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OrganismTacca chantrieri
ReferenceYokosuka,Chem.Pharm.Bull.,52,(2004),1396