| Name |
Physenoside S4
(+)-Physenoside S4 |
| Formula |
C69H112O35 |
| Mw |
1500.69841535 |
| CAS RN |
1191300-12-5 |
| C_ID |
C00048509
, 
|
| InChIKey |
WPPNPXSQQCVEIA-XAOMJTMQNA-N |
| InChICode |
InChI=1S/C69H112O35/c1-25-37(76)42(81)48(87)59(95-25)101-53-50(89)61(96-26(2)51(53)99-57-45(84)38(77)30(73)20-91-57)102-54-52(100-58-46(85)39(78)31(74)21-92-58)32(75)22-93-62(54)104-63(90)69-15-13-64(3,4)17-28(69)27-9-10-36-65(5)18-29(72)55(66(6,24-71)35(65)11-12-68(36,8)67(27,7)14-16-69)103-60-49(88)44(83)41(80)34(98-60)23-94-56-47(86)43(82)40(79)33(19-70)97-56/h9,25-26,28-62,70-89H,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-,62+,65-,66-,67+,68+,69-/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](COC9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[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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