Name |
Saponarioside K (+)-Saponarioside K |
Formula |
C48H76O21 |
Mw |
988.48790949 |
CAS RN |
252736-97-3 |
C_ID |
C00049748
,
|
InChIKey |
WQTDUOHTGZBHNH-WCRIFLNZNA-N |
InChICode |
InChI=1S/C48H76O21/c1-21(39(61)62)22-10-12-46(5)28(45(22,4)11-7-15-49)9-8-23-24-16-44(2,3)13-14-48(24,29(52)17-47(23,46)6)43(63)69-42-37(60)38(68-41-36(59)34(57)31(54)26(19-51)66-41)32(55)27(67-42)20-64-40-35(58)33(56)30(53)25(18-50)65-40/h8,22,24-38,40-42,49-60H,1,7,9-20H2,2-6H3,(H,61,62)/t22-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35+,36+,37+,38-,40+,41-,42-,45+,46+,47+,48+/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]([C@]2(CCCO)C)C(=C)C(=O)O)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)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Caryophyllaceae | Saponaria officinalis | Ref. |
|
|
zoom in
|