| Name |
Aesculioside Ic
(-)-Aesculioside Ic |
| Formula |
C47H76O20 |
| Mw |
960.49299487 |
| CAS RN |
886840-35-3 |
| C_ID |
C00034784
, 
|
| InChIKey |
VVNYXPFMBPFXCW-YOOLIUKDNA-N |
| InChICode |
InChI=1S/C47H76O20/c1-42(2)14-20-19-8-9-24-44(5)12-11-26(43(3,4)23(44)10-13-45(24,6)46(19,7)15-25(51)47(20,18-50)37(59)36(42)58)64-41-35(67-40-31(56)29(54)27(52)21(16-48)62-40)33(32(57)34(66-41)38(60)61)65-39-30(55)28(53)22(17-49)63-39/h8,20-37,39-41,48-59H,9-18H2,1-7H3,(H,60,61)/t20-,21+,22-,23-,24+,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,39-,40-,41+,44-,45+,46+,47-/m0/s1 |
| SMILES |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O)C(=O)O)C)C)CO)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
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