input word = C00032142

Metabolite InformationStructural formula
Name Sinocrassuloside II
(+)-Sinocrassuloside II
Formula C54H84O25
Mw 1132.53016824
CAS RN 724784-96-7
C_ID C00032142 ,
InChIKey DWVBAQUKBGZVDI-ZWSSOBPMNA-N
InChICode InChI=1S/C54H84O25/c1-48(2)14-15-54(24(16-48)23-8-9-28-50(4)12-11-30(56)53(7,46(69)70)29(50)10-13-51(28,5)52(23,6)17-31(54)57)47(71)79-45-41(68)42(78-44-40(67)37(64)34(61)25(20-55)75-44)36(63)27(77-45)22-74-43-39(66)38(65)35(62)26(76-43)21-73-33(60)19-49(3,72)18-32(58)59/h8,24-31,34-45,55-57,61-68,72H,9-22H2,1-7H3,(H,58,59)(H,69,70)/t24-,25+,26+,27+,28+,29+,30-,31+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45-,49+,50+,51+,52+,53-,54+/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C[C@@](CC(=O)O)(O)C)O)O)O)C)C)C)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula asclepiadea FRANCH Ref.
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OrganismSinocrassula asclepiadea FRANCH
ReferenceZhao,Chem.Pharm.Bull.,52,(2004),230