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 C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
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