Nupharin A

[3,4,5,20,21,22-hexahydroxy-8,17-dioxo-13,14-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]methyl 3,4,5-trihydroxybenzoate

Also Known As: Nupharin A|N-Chloroethylnitrosourea asparaginamide|alpha-D-Glucopyranose, cyclic 3,4-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,6-tris(3,4,5-trihydroxybenzoate), (S)-|8,9,10,11,12,13-hexahydroxy-6,15-dioxo-1-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-3,4,4a,6,15,16a-hexahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecine-3,4-diyl bis(3,4,5-trihydroxybenzoate)

Molecular Formula	C41H30O26
Molecular Weight	938.10254 g/mol
LogP	2.4
Topological Polar Surface Area	444.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	26
Rotatable Bonds	10
Exact Mass	938.10254
Monoisotopic Mass	938.10254
Heavy Atoms	67
Complexity	1770.0

Chemical Identifiers

CAS Number	81956-07-2
SMILES	C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O3)O)O)O)O)O)O
InChIKey	ZQYQKZCDCFVYLV-UHFFFAOYSA-N