| Name |
Polygalasaponin XLIV
(+)-Polygalasaponin XLIV |
| Formula |
C76H114O37 |
| Mw |
1618.70389466 |
| CAS RN |
202527-39-7 |
| C_ID |
C00049268
, 
|
| InChIKey |
QFSNEERJCBNFPN-JBQVHDQCNA-N |
| InChICode |
InChI=1S/C76H114O37/c1-30-58(109-63-53(91)48(86)41(28-101-63)107-65-54(92)49(87)45(83)38(25-77)104-65)52(90)57(95)64(102-30)111-61-60(110-66-55(93)50(88)46(84)39(26-78)105-66)59(108-44(82)15-11-32-10-13-36(99-8)37(22-32)100-9)31(2)103-68(61)113-70(98)75-19-18-71(3,4)23-34(75)33-12-14-42-72(5)24-35(81)62(112-67-56(94)51(89)47(85)40(27-79)106-67)74(7,69(96)97)43(72)16-17-73(42,6)76(33,29-80)21-20-75/h10-13,15,22,30-31,34-35,38-43,45-68,77-81,83-95H,14,16-21,23-29H2,1-9H3,(H,96,97)/b15-11+/t30-,31+,34-,35-,38+,39+,40-,41+,42+,43+,45-,46+,47+,48-,49-,50-,51-,52+,53+,54+,55+,56+,57+,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,72+,73+,74-,75-,76-/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)CO)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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