| Name |
Rotundioside G |
| Formula |
C47H76O16 |
| Mw |
896.51333638 |
| CAS RN |
100665-39-2 |
| C_ID |
C00031211
, 
|
| InChIKey |
LOMHITWHYXGWQO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C47H76O16/c1-22-30(51)33(54)36(63-40-37(34(55)32(53)24(19-48)60-40)62-38-35(56)31(52)23(49)20-57-38)39(59-22)61-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(50)18-45(44,47)8/h10,14,22-40,48-56H,9,11-13,15-21H2,1-8H3/t22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,43+,44-,45+,46+,47-/m1/s1 |
| SMILES |
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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