| Name |
Neosibiricoside A
(-)-Neosibiricoside A |
| Formula |
C47H74O21 |
| Mw |
974.47225943 |
| CAS RN |
880152-66-9 |
| C_ID |
C00041691
, 
|
| InChIKey |
BVGXRNQGCORRIZ-AXMKWEOENA-N |
| InChICode |
InChI=1S/C47H74O21/c1-17-16-60-47(41(59)31(17)51)18(2)30-26(68-47)13-25-23-8-7-21-11-22(12-29(62-20(4)50)46(21,6)24(23)9-10-45(25,30)5)63-42-38(58)36(56)39(19(3)61-42)66-44-40(35(55)33(53)28(15-49)65-44)67-43-37(57)34(54)32(52)27(14-48)64-43/h7,17-19,22-44,48-49,51-59H,8-16H2,1-6H3/t17-,18+,19-,22-,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40-,41+,42+,43+,44+,45+,46+,47+/m1/s1 |
| SMILES |
[C@]12([C@H]([C@H]3[C@@H](O1)C[C@@H]1[C@@]3(CC[C@H]3[C@H]1CC=C1[C@@]3([C@@H](C[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)OC(=O)C)C)C)C)OC[C@H]([C@H]([C@@H]2O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convallariaceae | Polygonatum sibiricum  | Ref. |
|
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