| Name |
Achlioniceoside A2 |
| Formula |
C60H96O34S2 |
| Mw |
1424.52244168 |
| CAS RN |
1094596-87-8 |
| C_ID |
C00047160
, 
|
| InChIKey |
UDBCXXAMZVZFKQ-FQPRJYRHNA-N |
| InChICode |
InChI=1S/C60H96O34S2/c1-24-45(91-52-44(72)47(37(65)30(89-52)23-84-96(78,79)80)92-51-43(71)46(81-9)36(64)27(20-61)86-51)40(68)42(70)49(85-24)93-48-38(66)28(87-50-41(69)39(67)35(63)29(88-50)22-83-95(75,76)77)21-82-53(48)90-34-14-17-57(6)26-19-33(62)60-32(59(8,94-54(60)73)16-10-15-55(2,3)74)13-18-58(60,7)25(26)11-12-31(57)56(34,4)5/h10,15,19,24-25,27-53,61-72,74H,11-14,16-18,20-23H2,1-9H3,(H,75,76,77)(H,78,79,80)/b15-10+/t24-,25-,27-,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+,57-,58+,59+,60+/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@H](CC3)[C@@](OC4=O)(C/C=C/C(C)(C)O)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. |
|
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