Multiflorin A

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Also Known As: Multiflorin A|Multiflorin A (Prunuside A)|HY-N12326|J2.440.175H|[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate|[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate|3-[[4-O-(6-O-Acetyl-beta-D-glucopyranosyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3-[4-O-(6-O-Acetyl-beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyloxy]-4 ,5,7-trihydroxyflavone|3-[4-O-(6-O-Acetyl-beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyloxy]-4',5,7-trihydroxyflavone|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-O-acetyl-beta-D-glucopyranosyl)-6-deoxy-alpha-L-mannopyranoside|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-O-acetylhexopyranosyl)-6-deoxyhexopyranoside

Molecular Formula	C29H32O16
Molecular Weight	636.169 g/mol
LogP	-0.8219
Topological Polar Surface Area	255.27 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	16
Rotatable Bonds	7
Exact Mass	636.169
Monoisotopic Mass	636.169
Heavy Atoms	45
Complexity	1587.8866

Chemical Identifiers

CAS Number	61358-52-9
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O