| Name |
Anasteroside B |
| Formula |
C56H90O32S |
| Mw |
1306.51359151 |
| CAS RN |
402490-53-3 |
| C_ID |
C00045222
, 
|
| InChIKey |
VCTMMUDSOWIZKA-LDLNERACNA-N |
| InChICode |
InChI=1S/C56H90O32S/c1-18(59)24-7-8-25-23-14-28(27-13-22(88-89(73,74)75)9-11-56(27,6)26(23)10-12-55(24,25)5)80-51-43(71)46(34(62)20(3)78-51)85-53-47(86-49-41(69)38(66)32(60)19(2)77-49)37(65)31(17-76-53)83-54-48(40(68)36(64)30(16-58)82-54)87-52-44(72)45(33(61)21(4)79-52)84-50-42(70)39(67)35(63)29(15-57)81-50/h10,19-25,27-54,57-58,60-72H,7-9,11-17H2,1-6H3,(H,73,74,75)/t19-,20-,21-,22+,23+,24-,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-/m1/s1 |
| SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)C6O[C@@H]6O[C@H](C)C(O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Asteriidae | Anasterias minuta | Ref. |
|
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