| 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 |
C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@H](C2)OC(=O)CC[C@H](CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)[C@H](C)O)C)C)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[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Trilliaceae | Paris polyphylla  | Ref. |
|
|
zoom in
| Organism | Paris polyphylla |
|---|
| Reference | Noguchi,Chem.Pharm.Bull.,54,(2006),1312 |
|---|
|
