(7-methoxy-6-oxidanyl-4-oxidanylidene-2-phenyl-chromen-5-yl) (2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: (7-methoxy-6-oxidanyl-4-oxidanylidene-2-phenyl-chromen-5-yl) (2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: (6-hydroxy-7-methoxy-4-oxo-2-phenyl-chromen-5-yl) (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid (6-hydroxy-7-methoxy-4-oxo-2-phenyl-1-benzopyran-5-yl) ester IUPAC Name: (6-hydroxy-7-methoxy-4-oxo-2-phenylchromen-5-yl) (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid (6-hydroxy-4-keto-7-methoxy-2-phenyl-chromen-5-yl) ester Formula: C28H30O16 MolecularWeight: 622.5282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC(=O)C4C(C(C(C(O4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Isomeric SMILES

COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC(=O)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C28H30O16/c1-39-14-8-13-16(11(30)7-12(40-13)10-5-3-2-4-6-10)24(18(14)32)42-26(38)25-21(35)20(34)23(37)28(43-25)44-27-22(36)19(33)17(31)15(9-29)41-27/h2-8,15,17,19-23,25,27-29,31-37H,9H2,1H3/t15-,17-,19+,20+,21+,22-,23-,25+,27+,28+/m1/s1