| Name |
Rubicunoside A |
| Formula |
C79H122O42 |
| Mw |
1742.74106803 |
| CAS RN |
171528-07-7 |
| C_ID |
C00040170
, 
|
| InChIKey |
PTPJOIZEEAUHTP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C79H122O42/c1-27-55(111-36-13-12-33(84)57(45(36)91)115-66-50(96)42(88)34(85)24-105-66)48(94)53(99)68(107-27)114-56-28(2)108-71(63(61(56)110-30(4)83)119-70-60(109-29(3)82)47(93)49(95)65(103)120-70)121-73(104)79-20-19-74(5,6)21-32(79)31-11-14-39-75(7)17-16-41(76(8,26-81)38(75)15-18-77(39,9)78(31,10)22-40(79)87)113-72-62(118-69-52(98)46(92)44(90)37(23-80)112-69)58(54(100)59(117-72)64(101)102)116-67-51(97)43(89)35(86)25-106-67/h11,26-28,32-63,65-72,80,84-100,103H,12-25H2,1-10H3,(H,101,102)/t27-,28-,32-,33+,34-,35-,36+,37-,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,51-,52+,53+,54-,55+,56+,57-,58-,59-,60+,61-,62+,63+,65+,66-,67-,68+,69+,70+,71-,72-,75-,76+,77-,78-,79+/m1/s1 |
| SMILES |
C1[C@H]([C@]([C@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)OC(=O)C)OC(=O)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]1CC[C@@H]([C@H]([C@H]1O)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)C)C)C)C)C)(C=O)C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene rubicunda | Ref. |
|
|
zoom in
| Organism | Silene rubicunda |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
