Name |
Chinenoside II |
Formula |
C49H78O22 |
Mw |
1018.49847418 |
CAS RN |
172589-64-9 |
C_ID |
C00024130
,
|
InChIKey |
ALMJXWPCHVBUTP-KIOLTHIMNA-N |
InChICode |
InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21+,22-,23+,24+,25-,27-,28-,30+,31-,32-,33+,34-,35+,36-,37+,38-,39-,40+,41-,42-,43-,44-,45-,46+,47-,48-,49+/m1/s1 |
SMILES |
C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)OC(=C1C)CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Alliaceae | Allium chinense G.DON | Ref. |
|
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