| Name |
Indicasaponin B
(+)-Indicasaponin B |
| Formula |
C52H84O21 |
| Mw |
1044.55050975 |
| CAS RN |
244778-69-6 |
| C_ID |
C00039412
, 
|
| InChIKey |
UCGMGFLTNMXEHT-FEYSQVRCNA-N |
| InChICode |
InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-43-38(63)35(60)33(58)27(19-53)68-43)40(26(56)22-67-45)71-42-37(62)32(57)25(55)21-66-42/h8,24-45,53-64H,9-22H2,1-7H3/t24-,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-/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Zygophyllaceae | Fagonia indica | Ref. |
|
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