| Name |
Verbascosaponin A |
| Formula |
C55H92O22 |
| Mw |
1104.60802463 |
| CAS RN |
151283-37-3 |
| C_ID |
C00063917
|
| InChIKey |
FOSCLSOVGLTOKV-YMMXXXRCSA-N |
| InChICode |
InChI=1S/C55H92O22/c1-24-33(60)36(63)39(66)46(70-24)75-42-30(21-57)73-48(41(68)38(42)65)76-43-34(61)25(2)71-49(44(43)77-47-40(67)37(64)35(62)29(20-56)72-47)74-32-11-12-51(5)31(52(32,6)22-58)10-13-54(8)45(51)28(69-9)18-26-27-19-50(3,4)14-16-55(27,23-59)17-15-53(26,54)7/h18,24-25,27-49,56-68H,10-17,19-23H2,1-9H3/t24-,25+,27-,28?,29+,30+,31+,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+,43-,44+,45+,46-,47-,48-,49-,51-,52-,53+,54+,55+/m0/s1 |
| SMILES |
COC1C=C2C3CC(C)(C)CCC3(CO)CCC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Scrophulariaceae | Scrophularia auriculata | Ref. |
|
|
zoom in
| Organism | Scrophularia auriculata |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
|---|
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