| Name |
Saponarioside I
(+)-Saponarioside I |
| Formula |
C59H94O30 |
| Mw |
1282.58299167 |
| CAS RN |
252736-72-4 |
| C_ID |
C00049746
, 
|
| InChIKey |
SXWOFRLEPIYRBS-FZKXYJCENA-N |
| InChICode |
InChI=1S/C59H94O30/c1-54(2)13-14-59(23(15-54)22-7-8-29-55(3)11-10-32(87-49-41(72)33(64)24(62)19-80-49)58(6,52(77)78)30(55)9-12-56(29,4)57(22,5)16-31(59)63)53(79)89-51-45(76)46(88-50-44(75)39(70)35(66)26(18-61)84-50)37(68)28(86-51)21-82-48-43(74)40(71)36(67)27(85-48)20-81-47-42(73)38(69)34(65)25(17-60)83-47/h7,23-51,60-76H,8-21H2,1-6H3,(H,77,78)/t23-,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-,55+,56+,57+,58-,59+/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(C(=O)O)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)C)C)O)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)CO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Saponaria officinalis  | Ref. |
|
|
zoom in
|
