N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin

[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(4-aminobutylamino)acetate

Also Known As: Sid 768538|N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin|[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(4-aminobutylamino)acetate|Glycine, N-(4-aminobutyl)-, (3beta,5beta,14beta)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl ester|glycine, n-(4-aminobutyl)-,(3|A,5|A,14|A)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl ester|3-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide|3beta-{[N-(4-Aminobutyl)glycyl]oxy}-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide

Molecular Formula	C29H44N2O7
Molecular Weight	532.3149 g/mol
LogP	0.6
Topological Polar Surface Area	148.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	532.3149
Monoisotopic Mass	532.3149
Heavy Atoms	38
Complexity	986.0

Chemical Identifiers

CAS Number	5340-68-1
SMILES	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CNCCCCN)C=O)O
InChIKey	DPSQMLWKHZUFKB-SBQWKNPYSA-N