| Name |
Aesculioside IIa
(-)-Aesculioside IIa |
| Formula |
C52H82O22 |
| Mw |
1058.52977431 |
| CAS RN |
886840-38-6 |
| C_ID |
C00034787
, 
|
| InChIKey |
OSURIFGREXTNLJ-AQOOOPDHNA-N |
| InChICode |
InChI=1S/C52H82O22/c1-10-21(2)43(67)74-41-40(64)52(20-55)23(17-47(41,3)4)22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(52)63)70-46-37(73-45-33(60)31(58)29(56)24(18-53)68-45)35(34(61)36(72-46)42(65)66)71-44-32(59)30(57)25(19-54)69-44/h10-11,23-41,44-46,53-64H,12-20H2,1-9H3,(H,65,66)/b21-10-/t23-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,44-,45-,46+,49-,50+,51-,52-/m0/s1 |
| SMILES |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1([C@H]([C@H]2O)O)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)OC(=O)/C(=C\C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
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