| Name |
Versicoside A |
| Formula |
C62H102O33S |
| Mw |
1406.60240652 |
| CAS RN |
88434-20-2 |
| C_ID |
C00045434
, 
|
| InChIKey |
MQZKOPWRAJKFLS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C62H102O33S/c1-22(2)15-26(65)18-62(8,79)36-10-9-29-28-17-32(31-16-27(95-96(80,81)82)11-13-60(31,6)30(28)12-14-61(29,36)7)87-56-48(77)51(39(68)24(4)85-56)92-58-52(93-54-46(75)43(72)37(66)23(3)84-54)42(71)35(21-83-58)90-59-53(45(74)41(70)34(20-64)89-59)94-57-49(78)50(38(67)25(5)86-57)91-55-47(76)44(73)40(69)33(19-63)88-55/h12,22-25,27-29,31-59,63-64,66-79H,9-11,13-21H2,1-8H3,(H,80,81,82)/t23-,24+,25-,27-,28+,29+,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+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O[C@H]1[C@H](O)[C@@H](O[C@H]([C@H]1O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)CO)O[C@@H]1[C@H](O)[C@H]([C@@H](OC1)O[C@@H]1[C@H](O)[C@H](O[C@@H]([C@H]1O)O[C@@H]1C[C@H]2C(=CC[C@@]3([C@@H]2CC[C@H]3[C@@](CC(=O)CC(C)C)(O)C)C)[C@]2([C@H]1C[C@H](CC2)OS(=O)(=O)O)C)C)O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)C)C)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Asteriidae | Anasterias minuta | Ref. |
|
|
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