| Name |
Glanduloside D |
| Formula |
C77H120O40 |
| Mw |
1684.73558872 |
| CAS RN |
745031-69-0 |
| C_ID |
C00043545
, 
|
| InChIKey |
WOFIYEQQLCGVHO-DBPJHNMDNA-N |
| InChICode |
InChI=1S/C77H120O40/c1-27-40(84)57(107-30(4)80)53(97)68(104-27)111-55-29(3)106-69(60(50(55)94)115-66-49(93)45(89)54(28(2)105-66)110-65-52(96)56(35(83)25-103-65)112-63-46(90)41(85)33(81)23-101-63)117-71(100)77-19-17-72(5,6)21-32(77)31-11-12-38-73(7)15-14-39(74(8,26-79)37(73)13-16-76(38,10)75(31,9)18-20-77)109-70-61(116-67-48(92)44(88)43(87)36(22-78)108-67)58(51(95)59(114-70)62(98)99)113-64-47(91)42(86)34(82)24-102-64/h11,26-29,32-61,63-70,78,81-97H,12-25H2,1-10H3,(H,98,99)/t27-,28+,29-,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-,63+,64+,65+,66+,67+,68+,69+,70+,73+,74+,75-,76-,77+/m1/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](OC7O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@@H]2C)O[C@H](C)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Acanthophyllum glandulosum | Ref. |
|
|
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