| Name |
Isokoreoside A |
| Formula |
C53H86O33S3 |
| Mw |
1346.42134747 |
| CAS RN |
583028-89-1 |
| C_ID |
C00044824
, 
|
| InChIKey |
YOKKWAMWHXWVML-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H86O33S3/c1-21(54)23-11-15-53(7)25-9-10-30-50(3,4)31(13-14-51(30,5)24(25)12-16-52(23,53)6)81-48-43(35(59)29(18-75-48)86-89(70,71)72)85-49-44(84-45-36(60)32(56)26(55)17-74-45)37(61)40(22(2)78-49)82-47-39(63)42(34(58)28(80-47)20-77-88(67,68)69)83-46-38(62)41(73-8)33(57)27(79-46)19-76-87(64,65)66/h12,22-23,25-49,55-63H,9-11,13-20H2,1-8H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)/t22-,23+,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-,51+,52-,53+/m0/s1 |
| SMILES |
COC1C(O)C(CO[S@SP3](=O)(=O)O)OC(OC2C(O)C(CO[S@SP3](=O)(=O)O)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CCC8(C)C(C(C)=O)CCC8(C)C7CCC6C5(C)C)OCC(O[S@SP3](=O)(=O)O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Cucumariidae | Cucumaria conicospermium | Ref. |
|
|
zoom in
|
