Glucoscillipheoside

Molecular Formula: C36H52O14


InChI: InChI=1/C36H52O14/c1-16-26(40)27(41)29(43)32(47-16)50-31-23(14-37)49-33(30(44)28(31)42)48-19-8-10-34(2)18(12-19)5-6-21-22(34)13-24(38)35(3)20(9-11-36(21,35)45)17-4-7-25(39)46-15-17/h4,7,12,15-16,19-24,26-33,37-38,40-45H,5-6,8-11,13-14H2,1-3H3/t16-,19+,20-,21u,22u,23+,24-,26-,27+,28-,29-,30+,31-,32+,33+,34+,35+,36+/m1/s1

InChIKey: InChIKey=XTWOVFUZCWTCGK-OQDVJVOEBK
SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C5CC(C6(C(CCC6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)O)C)CO)O)O)O

Names:
    BRN 0076519
    Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxy-
    BUFA-4,20,22-TRIENOLIDE, 3-beta-((6-DEOXY-4-O-beta-D-GLUCOPYRANOSYL-alpha-L-MANN
    Glucoscilliphaosid [German]
    Glucoscillipheoside
    21305-13-5
    4-18-00-02590 (Beilstein Handbook Reference)
    5-[(3S,10R,12R,13S,14S,17S)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Registries:
    PubChem CID 30585
    PubChem ID 172697