| Name |
Achlioniceoside A3 |
| Formula |
C60H94O34S2 |
| Mw |
1422.50679162 |
| CAS RN |
1094279-56-7 |
| C_ID |
C00047161
, 
|
| InChIKey |
XMANEHWCOFYLNX-SKNFUYDZNA-N |
| InChICode |
InChI=1S/C60H94O34S2/c1-23(2)27(62)12-17-59(8)33-13-16-58(7)25-10-11-32-56(4,5)35(14-15-57(32,6)26(25)18-34(63)60(33,58)55(74)94-59)90-54-49(39(67)29(20-82-54)87-51-42(70)40(68)36(64)30(88-51)21-83-95(75,76)77)93-50-43(71)41(69)46(24(3)85-50)91-53-45(73)48(38(66)31(89-53)22-84-96(78,79)80)92-52-44(72)47(81-9)37(65)28(19-61)86-52/h18,24-25,28-54,61,63-73H,1,10-17,19-22H2,2-9H3,(H,75,76,77)(H,78,79,80)/t24-,25-,28-,29-,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+,57-,58+,59+,60-/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@@]4([C@H]1O)[C@H](CC3)[C@@](OC4=O)(CCC(=O)C(=C)C)C)C)CC[C@H]1[C@@]2(CC[C@@H](C1(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)COS(=O)(=O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Elpidiidae | Achlionice violaecuspidata | Ref. |
|
|
zoom in
|
