| Name |
Buddlejasaponin II |
| Formula |
C53H86O22 |
| Mw |
1074.56107443 |
| CAS RN |
139501-47-6 |
| C_ID |
C00036066
, 
|
| InChIKey |
WOKRKTBQOHGPRW-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H86O22/c1-23-32(59)41(74-45-39(66)36(63)40(26(19-55)71-45)73-43-37(64)33(60)24(57)20-67-43)42(75-44-38(65)35(62)34(61)25(18-54)70-44)46(69-23)72-31-10-11-48(4)27(49(31,5)21-56)8-12-50(6)28(48)9-13-53-29-16-47(2,3)14-15-52(29,22-68-53)30(58)17-51(50,53)7/h9,13,23-46,54-66H,8,10-12,14-22H2,1-7H3/t23-,24-,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,39+,40-,41-,42-,43-,44+,45-,46-,48-,49-,50-,51+,52+,53-/m1/s1 |
| SMILES |
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica | Ref. |
| Plantae | Scrophulariaceae | Scrophularia kakudensis | Ref. |
|
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