7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1??-chromen-1-ylium chloride

CAS: 132-37-6

Formula: C28H33ClO16

SMILES: [Cl-].COC1=CC(=CC=C1O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1

IUPAC: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1??-chromen-1-ylium chloride

InChI: InChI=1S/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H/t18-,19-,20+,21-,22+,23+,24-,25+,27-,28-;/m1

Composition: C (50.88%), H (5.03%), Cl (5.36%), O (38.73%)

Molar Mass: 661.01

Atom Count: 78

Heavy Atom Count: 45