| Name |
Madhucoside A |
| Formula |
C68H110O35 |
| Mw |
1486.68276529 |
| CAS RN |
683205-82-5 |
| C_ID |
C00043691
, 
|
| InChIKey |
OIYPMBDCELBJBO-SQZGVMJVNA-N |
| InChICode |
InChI=1S/C68H110O35/c1-26-36(77)40(81)43(84)53(94-26)97-44-33(76)20-91-55(48(44)101-59-51(86)68(89,23-72)25-93-59)98-46-41(82)37(78)27(2)95-56(46)99-45-38(79)32(75)19-90-54(45)103-60(87)66-13-11-61(3,4)15-29(66)28-9-10-35-62(5)16-31(74)52(63(6,21-70)49(62)30(73)17-65(35,8)64(28,7)12-14-66)102-57-47(42(83)39(80)34(18-69)96-57)100-58-50(85)67(88,22-71)24-92-58/h9,26-27,29-59,69-86,88-89H,10-25H2,1-8H3/t26-,27-,29-,30+,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-,62+,63-,64+,65+,66-,67+,68+/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(C[C@H]([C@@H]1[C@@]2(C[C@@H]([C@@H]([C@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@@]([C@H]1O)(CO)O)O)O)CO)O)C)O)C)C)C(=O)O[C@@H]1OC[C@@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1OC[C@]([C@H]1O)(O)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapotaceae | Madhuca indica  | Ref. |
|
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