| Name |
Songaroside A |
| Formula |
C76H124O39 |
| Mw |
1660.77197423 |
| CAS RN |
57092-40-7 |
| C_ID |
C00043923
, 
|
| InChIKey |
YPPZNCHAPADHEU-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C76H124O39/c1-27-40(82)46(88)52(94)63(103-27)110-57-29(3)105-65(56(98)50(57)92)112-59-42(84)32(80)23-100-67(59)109-39-13-14-72(6)37(73(39,7)26-79)12-15-75(9)38(72)11-10-30-31-20-71(4,5)16-18-76(31,19-17-74(30,75)8)70(99)115-69-61(114-68-60(43(85)33(81)24-101-68)113-66-54(96)48(90)44(86)34(21-77)106-66)49(91)45(87)36(108-69)25-102-62-55(97)51(93)58(35(22-78)107-62)111-64-53(95)47(89)41(83)28(2)104-64/h10,27-29,31-69,77-98H,11-26H2,1-9H3/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-,66-,67+,68+,69+,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(CC[C@H]([C@]1(C)CO)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)C)C)C)C)C(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)O)O)O)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 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja officinalis  | Ref. |
|
|
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