| Name |
Physenoside S3
(+)-Physenoside S3 |
| Formula |
C63H102O30 |
| Mw |
1338.64559192 |
| CAS RN |
1191300-11-4 |
| C_ID |
C00048508
, 
|
| InChIKey |
WKZWEJVRTAWADR-GRKLZYEANA-N |
| InChICode |
InChI=1S/C63H102O30/c1-24-35(70)39(74)43(78)53(85-24)90-48-45(80)55(86-25(2)46(48)88-51-41(76)36(71)29(67)20-82-51)91-49-47(89-52-42(77)37(72)30(68)21-83-52)31(69)22-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(92-54-44(79)40(75)38(73)32(19-64)87-54)60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63/h9,24-25,27-56,64-80H,10-23H2,1-8H3/t24-,25-,27-,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-,59-,60-,61+,62+,63-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)OC[C@H](O)[C@@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@@H](C)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Physenaceae | Physena sessiliflora  | Ref. |
|
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