Catharticin

3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

Also Known As: Alaternin|Catharticin|2-Hydroxyemodin|Alaternin (glycoside)|Rhamnocitrin 3-O-rhamninoside|Rhamnocitrin 3-O-beta-D-rhamninoside|rhamnocitrin 3-O-|A-D-rhamninoside|NP2308|TN3611|J1.226.330I|3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one|3-(((2S,3R,4S,5R,6R)-6-((((2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one|4H-1-Benzopyran-4-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-beta-D-galactopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|2-(4-Hydroxyphenyl)-7-methoxy-5-hydroxy-3-[6-O-[3-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-beta-D-galactopyranosyloxy]-4H-1-benzopyran-4-one|3-[[6-O-(3-O-alpha-L-Rhamnopyranosyl-alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]oxy]-4 ,5-dihydroxy-7-methoxyflavone|3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one|5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-galactopyranoside|5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->6)hexopyranoside|5-Hydroxy-7-methoxy-2-(4-hydroxyphenyl)-3-[6-O-[3-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-beta-D-galactopyranosyloxy]-4H-1-benzopyran-4-one|kaempferol-7-O-methyl-3-O-|A-L-rhamnopyranosyl(1<*>3)-O-|A-L-rhamnopyranosyl(1<*>6)-O-|A-D-galactopyranoside

Molecular Formula	C34H42O19
Molecular Weight	754.23206 g/mol
LogP	-2.2379
Topological Polar Surface Area	297.12 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	19
Rotatable Bonds	9
Exact Mass	754.23206
Monoisotopic Mass	754.23206
Heavy Atoms	53
Complexity	1784.2192

Chemical Identifiers

CAS Number	39723-40-5
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O