Cy3(sin)-(sin)diG5G

Type : Anthocyanin, Flavonoid, Glycoside, Natural, Hydroxycinnamic-ester, Sinapyl, Dimethoxyphenyl, Dihydroxyphenyl, Cinnamate

Chemical_Nomenclature : [(2R,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Canonical SMILES : COC1=CC(=CC(=C1O)OC)C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)OC(=O)C=CC8=CC(=C(C(=C8)OC)O)OC)O)O

InChI : InChI=1S\/C55H60O29\/c1-72-31-11-22(12-32(73-2)41(31)63)5-9-39(61)76-21-38-45(67)48(70)52(84-55-51(47(69)44(66)37(20-57)81-55)83-40(62)10-6-23-13-33(74-3)42(64)34(14-23)75-4)54(82-38)79-35-18-26-29(77-50(35)24-7-8-27(59)28(60)15-24)16-25(58)17-30(26)78-53-49(71)46(68)43(65)36(19-56)80-53\/h5-18,36-38,43-49,51-57,65-71H,19-21H2,1-4H3,(H4-,58,59,60,61,62,63,64)\/p+1\/t36-,37-,38-,43-,44-,45-,46+,47+,48+,49-,51-,52-,53-,54-,55+\/m1\/s1

InChIKey : GPPAKHARARYVEB-NPPKREAOSA-O

Other name(s) : Cyanidin-3-(sinapyl)(sinapyl)-diglucoside-5-glucoside

MW : 1186.1

Formula : C55H61O29+

CAS_number :

PubChem : 101083473,    140762828

UniChem : GPPAKHARARYVEB-NPPKREAOSA-O