4-[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-4,5-bis[(4-oxidanyl-4-oxidanylidene-butanoyl)oxy]-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-oxan-2-yl]methoxy]-2-methyl-4,5-bis[(4-oxidanyl-4-oxidanylidene-butanoyl)oxy]oxan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-4,5-bis[(4-oxidanyl-4-oxidanylidene-butanoyl)oxy]-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-oxan-2-yl]methoxy]-2-methyl-4,5-bis[(4-oxidanyl-4-oxidanylidene-butanoyl)oxy]oxan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-bis[(4-hydroxy-4-oxo-butanoyl)oxy]-3-(3-hydroxy-3-oxo-propanoyl)oxy-tetrahydropyran-2-yl]methoxy]-4,5-bis[(4-hydroxy-4-oxo-butanoyl)oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-4,5-bis(4-hydroxy-1,4-dioxobutoxy)-3-(3-hydroxy-1,3-dioxopropoxy)-2-oxanyl]methoxy]-4,5-bis(4-hydroxy-1,4-dioxobutoxy)-2-methyl-3-oxanyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-bis[(4-hydroxy-4-oxobutanoyl)oxy]-3-(3-hydroxy-3-oxopropanoyl)oxyoxan-2-yl]methoxy]-4,5-bis[(4-hydroxy-4-oxobutanoyl)oxy]-2-methyloxan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-4,5-bis[(4-hydroxy-4-keto-butanoyl)oxy]-3-(3-hydroxy-3-keto-propanoyl)oxy-tetrahydropyran-2-yl]methoxy]-4,5-bis[(4-hydroxy-4-keto-butanoyl)oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-keto-butyric acid Formula: C50H52O34 MolecularWeight: 1196.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O

InChI

InChI=1S/C50H52O34/c1-19-41(78-33(67)9-4-27(55)56)45(79-34(68)10-5-28(57)58)47(81-36(70)12-7-30(61)62)49(75-19)74-18-26-43(83-38(72)17-32(65)66)46(80-35(69)11-6-29(59)60)48(82-37(71)13-8-31(63)64)50(77-26)84-44-40(73)39-24(54)15-21(51)16-25(39)76-42(44)20-2-3-22(52)23(53)14-20/h2-3,14-16,19,26,41,43,45-54H,4-13,17-18H2,1H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t19-,26+,41-,43+,45+,46-,47+,48+,49+,50-/m0/s1