| Name |
Saponarioside A
(-)-Saponarioside A |
| Formula |
C82H128O45 |
| Mw |
1832.77276209 |
| CAS RN |
214551-55-0 |
| C_ID |
C00050215
, 
|
| InChIKey |
VHBRIMAQIPLDMO-BHCPKYBGNA-N |
| InChICode |
InChI=1S/C82H128O45/c1-27-57(119-70-55(104)60(36(89)25-112-70)121-67-48(97)42(91)33(86)22-109-67)47(96)52(101)71(113-27)125-64-53(102)58(120-73-56(105)62(59(29(3)114-73)116-30(4)85)123-69-50(99)44(93)35(88)24-111-69)28(2)115-74(64)127-76(108)82-18-17-77(5,6)19-32(82)31-11-12-39-78(7)15-14-41(79(8,26-84)38(78)13-16-80(39,9)81(31,10)20-40(82)90)118-75-65(126-72-51(100)46(95)45(94)37(21-83)117-72)61(54(103)63(124-75)66(106)107)122-68-49(98)43(92)34(87)23-110-68/h11-12,26-29,31-65,67-75,83,86-105H,13-25H2,1-10H3,(H,106,107)/t27-,28+,29+,31+,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+,67-,68-,69-,70-,71-,72-,73-,74-,75+,78-,79-,80+,81+,82+/m0/s1 |
| SMILES |
CC(=O)O[C@H]1[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3C=C[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@@H]2C)O[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Saponaria officinalis  | Ref. |
|
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