| Name |
Nigroside A |
| Formula |
C56H94O29 |
| Mw |
1230.58807705 |
| CAS RN |
386747-86-0 |
| C_ID |
C00030822
, 
|
| InChIKey |
IQNWMIAMBMYYER-DLMUGQGBNA-N |
| InChICode |
InChI=1S/C56H94O29/c1-21(19-75-50-44(72)40(68)37(65)30(15-57)79-50)5-8-34(63)78-29-14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,4)35(29)22(2)61)77-52-46(74)42(70)47(33(18-60)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-58)80-53)48(39(67)32(17-59)81-54)84-51-43(71)36(64)28(62)20-76-51/h21-33,35-54,57-62,64-74H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33-,35+,36+,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,47-,48+,49-,50-,51+,52-,53+,54+,55+,56+/m1/s1 |
| SMILES |
C[C@H](CCC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Trilliaceae | Paris polyphylla  | Ref. |
|
|
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