Gentiodelphin

[(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Also Known As: Gentiodelphin|2-[3,4-Dihydroxy-5-[6-O-(3,4-dihydroxy-trans-cinnamoyl)-beta-D-glucopyranosyloxy]phenyl]-3-(beta-D-glucopyranosyloxy)-5-[6-O-(3,4-dihydroxy-cis-cinnamoyl)-beta-D-glucopyranosyloxy]-7-hydroxy-1-benzopyrylium|[(2R,3S,4S,5R,6S)-6-[5-[5-[(2S,3R,4S,5S,6R)-6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Molecular Formula	C51H53O28+
Molecular Weight	1113.2723 g/mol
LogP	-1.6152
Topological Polar Surface Area	453.0 Ų
Hydrogen Bond Donors	17
Hydrogen Bond Acceptors	27
Rotatable Bonds	18
Exact Mass	1113.2723
Monoisotopic Mass	1113.2723
Heavy Atoms	79
Complexity	2020.0

Chemical Identifiers

CAS Number	84331-34-0
SMILES	C1=CC(=C(C=C1C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O
InChIKey	CMHKKALEZOJWDP-JXKRDHHRSA-O