| Name |
Theasaponin A5
(+)-Theasaponin A5 |
| Formula |
C60H94O28 |
| Mw |
1262.59316242 |
| CAS RN |
929877-78-1 |
| C_ID |
C00032325
, 
|
| InChIKey |
UEUIERJXIATWKO-UDBFFJSKNA-N |
| InChICode |
InChI=1S/C60H94O28/c1-10-24(2)50(78)88-48-47(75)60(23-80-25(3)64)27(17-55(48,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)66)83-54-46(87-52-41(73)39(71)37(69)30(20-62)82-52)43(42(74)44(85-54)49(76)77)84-53-45(35(67)28(65)21-79-53)86-51-40(72)38(70)36(68)29(19-61)81-51/h10-11,27-48,51-54,61-63,65-75H,12-23H2,1-9H3,(H,76,77)/b24-10-/t27-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45-,46+,47-,48-,51-,52-,53-,54-,56-,57-,58+,59+,60-/m0/s1 |
| SMILES |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(C)CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1OC[C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C(=O)O)C)C)COC(=O)C)O)OC(=O)/C(=C\C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis |
|---|
| Reference | Yoshikawa,Chem.Pharm.Bull.,55,(2007),57 |
|---|
|
