| Name |
Polygalajaponicose I
(-)-Polygalajaponicose I |
| Formula |
C75H90O40 |
| Mw |
1630.50083776 |
| CAS RN |
1033593-09-7 |
| C_ID |
C00034162
, 
|
| InChIKey |
UAUFKXIOYWZMLH-HYAKAIIONA-N |
| InChICode |
InChI=1S/C75H90O40/c1-33-52(86)56(90)59(93)70(102-33)104-41-20-12-37(13-21-41)16-25-51(85)109-64-46(29-78)106-74(115-75(32-101-50(84)23-15-36-10-18-40(81)19-11-36)68(55(89)44(27-76)114-75)113-69(97)39-8-6-5-7-9-39)67(112-72-61(95)58(92)54(88)48(108-72)31-100-49(83)24-17-38-14-22-42(82)43(26-38)98-4)66(64)111-73-62(96)65(63(103-35(3)80)45(28-77)105-73)110-71-60(94)57(91)53(87)47(107-71)30-99-34(2)79/h5-26,33,44-48,52-68,70-74,76-78,81-82,86-96H,27-32H2,1-4H3/b23-15+,24-17+,25-16+/t33-,44+,45+,46+,47+,48+,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,70-,71-,72-,73-,74+,75-/m0/s1 |
| SMILES |
O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)OC(=O)/C=C/c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1cc(c(cc1)O)OC)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)/C=C/c1ccc(cc1)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
|
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