| Name |
Atroximasaponin G2 |
| Formula |
C63H92O27 |
| Mw |
1280.58259774 |
| CAS RN |
610272-78-1 |
| C_ID |
C00044561
, 
|
| InChIKey |
HNKSOBHCVXWAMD-IQKODAGDNA-N |
| InChICode |
InChI=1S/C63H92O27/c1-28-40(70)42(72)44(74)51(83-28)88-48-47(87-54-49(76)62(80,26-66)27-82-54)46(86-39(69)16-11-30-9-12-31(81-8)13-10-30)29(2)84-53(48)90-56(79)63-20-19-61(25-65)32(33(63)21-57(3,4)23-38(63)68)14-15-36-58(5)22-34(67)50(60(7,55(77)78)37(58)17-18-59(36,61)6)89-52-45(75)43(73)41(71)35(24-64)85-52/h9-14,16,28-29,33-38,40-54,64-68,70-76,80H,15,17-27H2,1-8H3,(H,77,78)/b16-11-/t28-,29+,33-,34-,35+,36+,37+,38+,40-,41-,42+,43-,44+,45+,46-,47-,48+,49-,50-,51-,52-,53-,54-,58+,59+,60-,61-,62+,63-/m0/s1 |
| SMILES |
COc1ccc(/C=CC(=O)O[C@@H]2[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@@]34CC[C@]5(CO)C(=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(C(=O)O)[C@@H]7CC[C@]65C)[C@@H]3CC(C)(C)C[C@H]4O)O[C@@H]2C)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Atroxima congolana | Ref. |
|
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