| Name |
Rubicunoside B |
| Formula |
C83H130O46 |
| Mw |
1862.78332677 |
| CAS RN |
180965-42-8 |
| C_ID |
C00040171
, 
|
| InChIKey |
AYCPLOMSGWFBDG-XUTWJZEDNA-N |
| InChICode |
InChI=1S/C83H130O46/c1-27-58(121-70-57(107)61(35(90)25-113-70)124-68-50(100)42(92)33(88)23-111-68)48(98)54(104)71(114-27)123-60-29(3)116-75(66(64(60)117-30(4)87)128-72-55(105)49(99)59(28(2)115-72)122-73-52(102)46(96)44(94)36(21-84)118-73)129-77(110)83-18-17-78(5,6)19-32(83)31-11-12-39-79(7)15-14-41(80(8,26-86)38(79)13-16-81(39,9)82(31,10)20-40(83)91)120-76-65(127-74-53(103)47(97)45(95)37(22-85)119-74)62(56(106)63(126-76)67(108)109)125-69-51(101)43(93)34(89)24-112-69/h11,26-29,32-66,68-76,84-85,88-107H,12-25H2,1-10H3,(H,108,109)/t27-,28+,29+,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-,64-,65+,66+,68-,69-,70-,71-,72-,73-,74-,75-,76+,79-,80-,81+,82+,83+/m0/s1 |
| SMILES |
CC(=O)O[C@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[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@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene rubicunda | Ref. |
|
|
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