input word = C00037840

Metabolite InformationStructural formula
Name Staunoside A
3-O-beta-D-Glucopyranosyl hederagenin 28-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
Formula C48H78O19
Mw 958.51373031
CAS RN 153118-55-9
C_ID C00037840 ,
InChIKey NRVVDCANHAKYCV-LZCIGZRTNA-N
InChICode InChI=1S/C48H78O19/c1-43(2)13-15-48(42(61)67-41-38(60)35(57)32(54)26(65-41)20-62-39-36(58)33(55)30(52)24(18-49)63-39)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-51)27(44)9-12-47(28,46)6)66-40-37(59)34(56)31(53)25(19-50)64-40/h7,23-41,49-60H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera helix L. Ref.
zoom in