Terchebin

[(1R,10R,18R,19R,21S,22S)-6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate

Also Known As: Terchebin|beta-D-Glucopyranose, cyclic 2-7:4-5-(3,6-dihydro-2,9.10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,3,6-tris(3,4,5-trihydroxybenzoate), (2(2S))-|((1R,10R,18R,19R,21S,22S)-6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-bis((3,4,5-trihydroxybenzoyl)oxy)-2,17,20,23-tetraoxapentacyclo(16.3.1.18,11.04,9.010,15)tricosa-4,6,8,14-tetraen-19-yl)methyl 3,4,5-trihydroxybenzoate|[(1R,10R,18R,19R,21S,22S)-6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate

Molecular Formula	C41H30O27
Molecular Weight	954.0975 g/mol
LogP	-1.0819
Topological Polar Surface Area	450.25 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	27
Rotatable Bonds	7
Exact Mass	954.0975
Monoisotopic Mass	954.0975
Heavy Atoms	68
Complexity	2866.8484

Chemical Identifiers

CAS Number	20598-45-2
SMILES	C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O