| Name |
Calcigeroside D2 |
| Formula |
C59H94O32S2 |
| Mw |
1378.51696237 |
| CAS RN |
298693-65-9 |
| C_ID |
C00046639
, 
|
| InChIKey |
NNXCREMMNPGYRM-MNFBNUFZNA-N |
| InChICode |
InChI=1S/C59H94O32S2/c1-24(2)18-26(61)19-58(8)34-13-16-57(7)28-10-11-33-55(4,5)35(14-15-56(33,6)27(28)12-17-59(34,57)54(71)90-58)85-52-47(38(65)32(22-80-52)91-93(75,76)77)89-53-48(88-50-40(67)39(66)36(63)30(20-60)83-50)41(68)44(25(3)82-53)86-51-43(70)46(37(64)31(84-51)23-81-92(72,73)74)87-49-42(69)45(78-9)29(62)21-79-49/h10,24-25,27,29-53,60,62-70H,11-23H2,1-9H3,(H,72,73,74)(H,75,76,77)/t25-,27-,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+,56-,57+,58+,59+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)OS(=O)(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@]23[C@@]1(C)CC[C@@H]2[C@](OC3=O)(C)CC(=O)CC(C)C)C)O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)O)COS(=O)(=O)O)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Pentamera calcigera | Ref. |
|
|
zoom in
|
