| Name |
Madhucoside B
(-)-Madhucoside B |
| Formula |
C69H112O36 |
| Mw |
1516.69332998 |
| CAS RN |
683205-83-6 |
| C_ID |
C00043692
, 
|
| InChIKey |
LDKOCCIYHLSZSS-YUZCPITCNA-N |
| InChICode |
InChI=1S/C69H112O36/c1-25-36(78)41(83)45(87)56(95-25)99-47-34(19-71)98-59(51(46(47)88)100-55-44(86)38(80)31(76)20-92-55)102-49-42(84)37(79)26(2)96-58(49)101-48-39(81)32(77)21-93-57(48)105-62(90)68-13-11-63(3,4)15-28(68)27-9-10-35-64(5)16-30(75)54(65(6,22-72)52(64)29(74)17-67(35,8)66(27,7)12-14-68)104-60-50(43(85)40(82)33(18-70)97-60)103-61-53(89)69(91,23-73)24-94-61/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,28-,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+,60-,61-,64+,65-,66+,67+,68-,69+/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]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapotaceae | Madhuca indica  | Ref. |
|
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