digitoxigenin 3-O-β-D-quinovoside
Chemical Formula:
C29H44O8
Molecular Weight:
520.662 Daltons
Monoisotopic Mass:
520.3036183892 Daltons
SMILES:
CC1(OC(C(O)C(O)C(O)1)OC5(CC6(CCC4(C(CCC3(C)(C(C2(COC(=O)C=2))CCC(O)34))C(CC5)(C)6))))
InChI:
1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15?,17?,18?,19?,20-,21?,23+,24?,25+,26?,27?,28?,29?/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-10540
Seed:
cpd22709
MetaNetX:
MNXM17279