(Q105139238)

English

KDMXTQFDDQQZKA-MYLCQVNTSA-N

group of stereoisomers with the chemical formula C₅₀H₇₄O₂₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,138.431576348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₀H₇₄O₂₉

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC5OC(CO)C(O)C(O)C5O)C)C)C)C

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isomeric SMILES

CC(C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C50H74O29/c1-20(11-7-13-22(3)44(68)78-49-42(67)37(62)32(57)27(75-49)18-70-46-39(64)34(59)29(54)24(15-51)72-46)9-5-6-10-21(2)12-8-14-23(4)45(69)79-50-43(77-48-41(66)36(61)31(56)26(17-53)74-48)38(63)33(58)28(76-50)19-71-47-40(65)35(60)30(55)25(16-52)73-47/h5-14,24-43,46-67H,15-19H2,1-4H3/b6-5+,11-7?,12-8+,20-9?,21-10+,22-13?,23-14+

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InChIKey

KDMXTQFDDQQZKA-MYLCQVNTSA-N

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(Q105139238)

KDMXTQFDDQQZKA-MYLCQVNTSA-N

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