BIGCHAP

2,3,4,5,6-pentahydroxy-N-[3-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]propyl]hexanamide

Also Known As: BIGCHAP|Big CHAP|CHAP, Big|Bigchap [MI]|N,N-bis-(3-D-Gluconamidopropyl)cholamide|N,N-Bis(3-(D-gluconamido)propyl)cholamide|2,3,4,5,6-pentahydroxy-N-[3-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]propyl]hexanamide|N,N-Bis[3-D-gluconamidopropyl]cholamide (Ultra Pure)|(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]hexanamide|(3-alpha,5-beta,7-alpha,12-alpha)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxycholan-24-amide|(3alpha,5beta,7alpha,12alpha)-N,N-Bis(3-(D-gluconoylamino)propyl)-3,7,12-trihydroxycholan-24-amide|2,3,4,5,6-pentahydroxy-N-(3-(3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl-(4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoyl)amino)propyl)hexanamide|689-123-4|Cholan-24-amide, N,N-bis(3-(D-gluconoylamino)propyl)-3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-|N,N'-[{[4-(4,7,11-Trihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)pentanoyl]azanediyl}di(propane-3,1-diyl)]bis(2,3,4,5,6-pentahydroxyhexanamide)

Molecular Formula	C42H75N3O16
Molecular Weight	877.5147 g/mol
LogP	-3.9229
Topological Polar Surface Area	341.5 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	16
Rotatable Bonds	22
Exact Mass	877.5147
Monoisotopic Mass	877.5147
Heavy Atoms	61
Complexity	1383.9619

Chemical Identifiers

CAS Number	86303-22-2
SMILES	CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C