3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxyphenyl]-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

Structural Information

Molecular Formula

C₆₂H₇₁O₃₈

SMILES

C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C=C(C(=[O+]C4=C3)C5=CC(=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=C(C=C7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COC(=O)CC(=O)O)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C62H70O38/c63-16-33-40(70)45(75)50(80)58(96-33)90-24-6-1-21(2-7-24)56(85)88-19-36-43(73)47(77)52(82)60(98-36)92-26-12-29(66)27-14-32(95-62-54(84)48(78)42(72)35(99-62)18-87-39(69)15-38(67)68)55(93-30(27)13-26)23-5-10-28(65)31(11-23)94-61-53(83)49(79)44(74)37(100-61)20-89-57(86)22-3-8-25(9-4-22)91-59-51(81)46(76)41(71)34(17-64)97-59/h1-14,33-37,40-54,58-64,70-84H,15-20H2,(H2-,65,66,67,68)/p+1/t33-,34-,35-,36-,37-,40-,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,58-,59-,60-,61-,62-/m1/s1

InChIKey

ZBGSTPIYSSCTDM-OIGOEIAGSA-O

Compound name

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

Related CIDs

• CID 101674013