| Name |
Polygalasaponin X |
| Formula |
C64H104O32 |
| Mw |
1384.65107123 |
| CAS RN |
162857-77-4 |
| C_ID |
C00041782
, 
|
| InChIKey |
SQRYIZBDHSCVGE-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C64H104O32/c1-24-47(91-52-43(80)35(72)28(71)22-85-52)42(79)46(83)53(86-24)94-50-48(92-54-44(81)38(75)31(20-67)88-54)39(76)32(21-68)90-57(50)96-58(84)64-14-12-59(2,3)16-26(64)25-8-9-34-60(4)17-27(70)51(61(5,23-69)33(60)10-11-63(34,7)62(25,6)13-15-64)95-56-49(41(78)37(74)30(19-66)89-56)93-55-45(82)40(77)36(73)29(18-65)87-55/h8,24,26-57,65-83H,9-23H2,1-7H3/t24-,26+,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-,57+,60-,61+,62+,63+,64+/m1/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@]1(C2=CC[C@@H]2[C@@]1(CC[C@@H]1[C@]2(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O)O)CO)O)C)C)C)C(=O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O)O)O[C@@H]1O[C@H]([C@H]([C@H]1O)O)CO)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
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