| Name |
Polygalasaponin XLV
(+)-Polygalasaponin XLV |
| Formula |
C78H116O38 |
| Mw |
1660.71445935 |
| CAS RN |
202527-40-0 |
| C_ID |
C00049269
, 
|
| InChIKey |
HOEZTVSWBCAGSJ-ZIOPGKGANA-N |
| InChICode |
InChI=1S/C78H116O38/c1-31-60(112-65-55(93)50(88)43(29-104-65)109-67-56(94)51(89)47(85)40(26-79)107-67)54(92)59(97)66(105-31)114-63-62(113-68-57(95)53(91)49(87)42(110-68)28-103-33(3)82)61(111-46(84)16-12-34-11-14-38(101-9)39(23-34)102-10)32(2)106-70(63)116-72(100)77-20-19-73(4,5)24-36(77)35-13-15-44-74(6)25-37(83)64(115-69-58(96)52(90)48(86)41(27-80)108-69)76(8,71(98)99)45(74)17-18-75(44,7)78(35,30-81)22-21-77/h11-14,16,23,31-32,36-37,40-45,47-70,79-81,83,85-97H,15,17-22,24-30H2,1-10H3,(H,98,99)/b16-12+/t31-,32+,36-,37-,40+,41+,42+,43+,44+,45+,47+,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-,74+,75+,76-,77-,78-/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@@H]([C@@H]([C@]1(C(=O)O)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)CO)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)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)COC(=O)C)OC(=O)/C=C/c1ccc(c(c1)OC)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala glomerata  | Ref. |
|
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