Cucurbitacin E 2-O-glucoside

Molecular Formula: C38H54O13


InChI: InChI=1/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23u,24+,27?,28?,29?,30+,32?,35+,36-,37+,38+/m1/s1

InChIKey: InChIKey=QKEJRKXVLGOJMB-VBSVXCJKBQ
SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O

Names:
    Cucurbitacin E 2-O-glucoside
    NSC680118
    [(E,6R)-6-hydroxy-6-[(8S,9R,10S,13R,14S,16R,17S)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxo-hept-3-en-2-yl] acetate

Registries:
    PubChem CID 5459275
    PubChem ID 8142471