Theasinensin C

(2R,3R)-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol

Also Known As: Theasinensin C|Theasinensin E|Theasinensin|J1.493.984I|J3.661.023I|(2R,3R)-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol|(2R,3R)-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]phenyl]phenyl]chromane-3,5,7-triol|(aR)-6,6 -Bis(3,4-dihydro-3alpha,5,7-trihydroxy-2H-1-benzopyran-2alpha-yl)-1,1 -biphenyl-2,2 ,3,3 ,4,4 -hexaol|(aR)-6,6 -Bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-1,1 -biphenyl-2,2 ,3,3 ,4,4 -hexaol|(aR)-6,6 -Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-1,1 -biphenyl-2,2 ,3,3 ,4,4 -hexaol|(aR)-6,6 -Bis[(2R,3R)-3alpha,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2alpha-yl]-1,1 -biphenyl-2,2 ,3,3 ,4,4 -hexaol|(aS)-6,6 -Bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-1,1 -biphenyl-2,2 ,3,3 ,4,4 -hexaol|(aS)-6,6 -Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-1,1 -biphenyl-2,2 ,3,3 ,4,4 -hexaol|2,2 -[(aR)-4,4 ,5,5 ,6,6 -Hexahydroxybiphenyl-2,2 -diyl]bis[(2R)-2,3-dihydro-4H-1-benzopyran-3alpha,5,7-triol]|2,2 -[(aR)-4,4 ,5,5 ,6,6 -Hexahydroxybiphenyl-2,2 -diyl]bis[(2R,3R)-2,3-dihydro-4H-1-benzopyran-3,5,7-triol]|2,2 -[(aS)-4,4 ,5,5 ,6,6 -Hexahydroxybiphenyl-2,2 -diyl]bis[(2R,3R)-2,3-dihydro-4H-1-benzopyran-3,5,7-triol]|6,6'-Bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-[1,1'-biphenyl]-2,2',3,3',4,4'-hexol, 9CI|6,6'-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]biphenyl-2,2',3,3',4,4'-hexol

Molecular Formula	C30H26O14
Molecular Weight	610.13226 g/mol
LogP	1.8
Topological Polar Surface Area	261.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	14
Rotatable Bonds	3
Exact Mass	610.13226
Monoisotopic Mass	610.13226
Heavy Atoms	44
Complexity	913.0

Chemical Identifiers

CAS Number	116348-81-3
SMILES	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)O)O)O)O)O
InChIKey	JPBGHWKYWUEIOT-XYTTVBAYSA-N