Venalot

Also Known As: Venalot|2H-1-Benzopyran-2-one mixt. with 2-(3,4-bis(2- hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L- mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5- hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-one|2H-1-Benzopyran-2-one, mixt. with 2-(3,4-bis(2-hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-onehydrogen sulfate sodium salt|2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; chromen-2-one; sodium; sulfuric acid

Molecular Formula	C42H50NaO25S
Molecular Weight	1009.22595 g/mol
LogP	-1.9312
Topological Polar Surface Area	401.93 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	23
Rotatable Bonds	15
Exact Mass	1009.22595
Monoisotopic Mass	1009.22595
Heavy Atoms	69
Complexity	2653.9136

Chemical Identifiers

CAS Number	39291-13-9
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O.C1=CC=C2C(=C1)C=CC(=O)O2.OS(=O)(=O)O.[Na]