Name |
Saponarioside M (+)-Saponarioside M |
Formula |
C53H84O24 |
Mw |
1104.53525361 |
CAS RN |
252737-18-1 |
C_ID |
C00049750
,
|
InChIKey |
DSOVPWHTAYTWNB-FMLHZDPINA-N |
InChICode |
InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-44-40(66)36(62)34(60)27(74-44)21-71-45-41(37(63)33(59)26(19-55)73-45)76-43-39(65)35(61)32(58)25(18-54)72-43)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-38(64)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24+,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,49+,50+,51+,52-,53-/m0/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(CC[C@@H]([C@]1(C(=O)O)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Caryophyllaceae | Saponaria officinalis | Ref. |
|
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