input word = C00054490

Metabolite InformationStructural formula
Name Asiaticoside D
Formula C48H78O18
Mw 942.51881569
CAS RN 851222-50-9
C_ID C00054490
InChIKey SDRICUDLBWDVDW-QUVRKVDJSA-N
InChICode InChI=1S/C48H78O18/c1-20-11-14-48(16-15-46(7)23(29(48)21(20)2)9-10-28-45(6)17-24(50)39(59)44(4,5)27(45)12-13-47(28,46)8)43(60)66-42-36(57)33(54)31(52)26(64-42)19-61-40-37(58)34(55)38(25(18-49)63-40)65-41-35(56)32(53)30(51)22(3)62-41/h9,20-22,24-42,49-59H,10-19H2,1-8H3/t20-,21+,22+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,45+,46-,47-,48+/m1/s1
SMILES O[C@H]1[C@H](O)C(C)(C)[C@@](CC[C@]2(C)[C@]3([H])CC=C4[C@@]2(C)CC[C@]5(C(O[C@@H]6O[C@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@H]6O)=O)[C@@]4([H])[C@@H](C)[C@H](C)CC5)([H])[C@]3(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
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