Bufalin-3.beta.-glucoside

Molecular Formula: C₃₀H₄₄O₉

InChI: InChI=1/C30H44O9/c1-28-10-7-18(38-27-26(35)25(34)24(33)22(14-31)39-27)13-17(28)4-5-21-20(28)8-11-29(2)19(9-12-30(21,29)36)16-3-6-23(32)37-15-16/h3,6,15,17-22,24-27,31,33-36H,4-5,7-14H2,1-2H3

InChIKey: InChIKey=PHDLRYFJEIFRTF-UHFFFAOYAU
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OC6C(C(C(C(O6)CO)O)O)O

Names:
    Bufalin-3.beta.-glucoside
    NSC268347
    5-[14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Registries:
    PubChem CID 320482
    PubChem ID 140557