| Name |
Theasaponin |
| Formula |
C59H92O27 |
| Mw |
1232.58259774 |
| CAS RN |
11055-93-9 |
| C_ID |
C00003556
, 
|
| InChIKey |
BWPGKXYWPBQBPV-AIPPNTJSNA-N |
| InChICode |
InChI=1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50)42(41(73)43(83-53)48(74)75)82-51-40(72)38(70)37(69)30(19-60)80-51/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-/t27-,28+,29-,30-,31+,32+,33+,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44+,45-,46-,47-,50+,51-,52+,53-,55-,56-,57+,58+,59-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@H](O)C7O)C6O[C@@H]6OC[C@H](O)[C@H](O)C6O[C@@H]6OC[C@@H](O)[C@H](O)C6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
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