| Name |
Atroximasaponin G1 |
| Formula |
C63H92O27 |
| Mw |
1280.58259774 |
| CAS RN |
610272-77-0 |
| C_ID |
C00044560
, 
|
| InChIKey |
HNKSOBHCVXWAMD-IUECIQSLNA-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+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)C[C@]2([C@@H]([C@@]1(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(C[C@H]1O)(C)C)C(=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C)O[C@H]1[C@@H]([C@](CO1)(O)CO)O)OC(=O)/C=C\c1ccc(cc1)OC)C)CO)C)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Atroxima congolana | Ref. |
|
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