Digitoxin digitoxoside

Molecular Formula: C35H54O10


InChI: InChI=1/C35H54O10/c1-18-31(39)26(36)15-30(42-18)45-32-19(2)43-29(16-27(32)37)44-22-7-10-33(3)21(14-22)5-6-25-24(33)8-11-34(4)23(9-12-35(25,34)40)20-13-28(38)41-17-20/h13,18-19,21-27,29-32,36-37,39-40H,5-12,14-17H2,1-4H3/t18-,19-,21-,22+,23-,24u,25u,26+,27+,29+,30+,31-,32-,33+,34-,35+/m1/s1

InChIKey: InChIKey=CERUVRSAHAFOLZ-LJCVRVFMBT
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)C)O)O

Names:
    BRN 0101942
    Digitoxigenine bis-digitoxoside
    Digitoxigenin bisdigitoxide
    Digitoxigenin bisdigitoxoside
    Digitoxigenin di(digitoxoside)
    Digitoxigenin 3-O-bisdigitoxoside
    Digitoxigenin-bis(digitoxoside)
    Digitoxin digitoxoside
    EINECS 240-533-8
    4-18-00-01478 (Beilstein Handbook Reference)
    4-[(3S,5R,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one

Registries:
    PubChem CID 27886
    PubChem ID 170421