Datiscoside

Molecular Formula: C38H54O12


InChI: InChI=1/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3/b14-13+

InChIKey: InChIKey=RRPAPBCRZGEXTR-BUHFOSPRBX
SMILES: CC1C(C(=O)C(C(O1)OC2CC3(C4CC=C5C(C4(C(=O)CC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)CC(C(=O)C5(C)C)O)C)OC(=O)C)O

Names:
    AIDS-127108
    AIDS127108
    CUCURBITACIN D DEHYDROEPIRHAMNOSIDE
    Datisca principle A
    Datiscoside
    NSC144153
    17-(1,5-Dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2-hydroxy-4,4,9,14-tetramethyl-3,11-dioxoestr-5-en-16-yl 2-O-acetyl-6-deoxyhexopyranosid-3-ulose
    36067-56-8
    [2-[[17-[(E)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyl-4-oxo-oxan-3-yl] acetate

Registries:
    PubChem CID 5927581
    PubChem ID 223057