Gomphrenin I

1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

Also Known As: Gomphrenin I|1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

Molecular Formula	C24H26N2O13
Molecular Weight	550.1435 g/mol
LogP	-3.6983
Topological Polar Surface Area	249.38 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	550.1435
Monoisotopic Mass	550.1435
Heavy Atoms	39
Complexity	1270.7189

Chemical Identifiers

CAS Number	17008-59-2
SMILES	C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O