Isoporiolide

(16S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione

Also Known As: Isoporiolide|AC1L1ZEN|RefChem:149776|(1,1'-Biphenyl)-3-carboxylic acid, 2,2'-dihydroxy-5'-(7-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-1-benzopyran-2-yl)-, intramol. 3,6'''-ester|(1S,16S,17S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo(19.5.3.12,6.17,11.115,19.024,28)dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione|(1S,16S,17S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione|5,16,17,18,23,31-Hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione

Molecular Formula	C29H26O12
Molecular Weight	566.14246 g/mol
LogP	1.84
Topological Polar Surface Area	192.44 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	0
Exact Mass	566.14246
Heavy Atoms	41
Complexity	1565.8

Chemical Identifiers

CAS Number	39262-31-2
SMILES	CC1=C(C2=C3C=C1O[C@H]4C(C([C@@H](C(O4)COC(=O)C5=CC=CC(=C5O)C6=C(C=CC(=C6)C(O3)CC2=O)O)O)O)O)O