Orobanchoside

[(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Also Known As: Orobanchoside|Crenatoside|[(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Molecular Formula	C29H36O16
Molecular Weight	640.2003 g/mol
LogP	-1.525
Topological Polar Surface Area	265.52 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	16
Rotatable Bonds	10
Exact Mass	640.2003
Monoisotopic Mass	640.2003
Heavy Atoms	45
Complexity	1335.3636

Chemical Identifiers

CAS Number	61276-16-2
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC[C@H](C3=CC(=C(C=C3)O)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O