Papulacandin B

Molecular Formula: C₄₇H₆₄O₁₇

InChI: InChI=1/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7+,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28u,31?,33?,35-,36-,40+,41+,42-,43-,44+,45-,46+,47+/m1/s1

InChIKey: InChIKey=UJLFRJFJTPPIOK-VZEPJQTFBW
SMILES: CCC(C)CCC=CC=C(C)C(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(C=C(C=C3CO2)O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC=CC=CC(CC)O)O)O)O)O

Names:
    alpha-D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
    A-32283-B
    D-Glucopyranose, 1,1(sup 6)-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
    Papulacandin B
    61032-80-2
    [(3R,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxy-spiro[1H-isobenzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-hexadeca-2,4,8,10-tetraenoate

Registries:
    PubChem CID 6436198
    PubChem ID 214746