Kandelin A-1

(2R,3R,4S,10R)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one

Also Known As: Kandelin A-1|Kandelin A1|Cinchonain-1a-(4beta->8)-catechin|Cinchonain-1a-(4beta 8)-catechin|J2.701.462C|(2R,3R,4S,10R)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one|(2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-((2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo(1,2-b:3,4-b')dipyran-8-one|(2R,3R,4S,10R)-2,10-bis(3,4-dihydroxyphenyl)-4-((2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano(2,3-h)chromen-8-one|(2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo[1,2-b:3,4-b ]dipyran-8-one|(2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one|(4R)-4alpha,6alpha-Bis(3,4-dihydroxyphenyl)-7alpha,9-dihydroxy-8beta-[(2R)-2alpha-(3,4-dihydroxyphenyl)-3beta,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2,3,4,6,7,8-hexahydro-1,5-dioxaphenanthrene-2-one|(4R,5R,6S,14R)-4,14-bis(3,4-dihydroxyphenyl)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),8-trien-12-one

Molecular Formula	C39H32O15
Molecular Weight	740.17413 g/mol
LogP	3.2
Topological Polar Surface Area	267.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	15
Rotatable Bonds	4
Exact Mass	740.17413
Monoisotopic Mass	740.17413
Heavy Atoms	54
Complexity	1320.0

Chemical Identifiers

CAS Number	88903-77-9
SMILES	C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@H](CC(=O)O5)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O)O)O)C8=CC(=C(C=C8)O)O)O
InChIKey	NWZBNZUABGSPSN-ZBBQFUFDSA-N