| Name |
Cucumarioside A2-5 |
| Formula |
C61H96O31S |
| Mw |
1356.56562708 |
| CAS RN |
583028-05-1 |
| C_ID |
C00038873
, 
|
| InChIKey |
YUBQCMRJNBTGSY-LEEAIRQMNA-N |
| InChICode |
InChI=1S/C61H96O31S/c1-11-24(2)29(65)18-60(9)50-31(83-26(4)64)19-59(8)28-12-13-35-57(5,6)36(15-16-58(35,7)27(28)14-17-61(50,59)56(75)91-60)86-54-48(40(70)34(23-81-54)92-93(76,77)78)90-55-49(89-51-41(71)37(67)30(66)22-80-51)42(72)45(25(3)82-55)87-53-44(74)47(39(69)33(21-63)85-53)88-52-43(73)46(79-10)38(68)32(20-62)84-52/h12,24-25,27,30-55,62-63,66-74H,11,13-23H2,1-10H3,(H,76,77,78)/t24-,25+,27-,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41+,42-,43+,44+,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55-,58+,59-,60-,61+/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@]2([C@]3(CC1)[C@H]([C@H](C2)OC(=O)C)[C@@](OC3=O)(CC(=O)[C@H](CC)C)C)C)C)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)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)OC)O)CO)O)CO)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)OS(=O)(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Cucumariidae | Cucumaria conicospermium | Ref. |
| Animalia | Cucumariidae | Cucumaria okhotensis | Ref. |
|
|
zoom in
|
