Tgmac

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[[2-[[1,3-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoate

Also Known As: TGMAC|Tris-gal-chol|N-(tris( -N -(4- glycinamide|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[[2-[[1,3-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoate|N-(Tris((beta-galactopyranosyloxy)methyl)methyl)-N(alpha)-(4-(5-cholesten-3beta-yloxy)succinyl)glycinamide|Cholest-5-en-3-ol (3beta)-, 4-((2-((2-(beta-D-galactopyranosyloxy)-1,1-bis((beta-D-galactopyranosyloxy)methyl)ethyl)amino)-2-oxoethyl)amino)-4-oxobutanoate|(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3-[({[1,3-bis({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)propan-2-yl]carbamoyl}methyl)carbamoyl]propanoate|3beta-[[4-[[2-[[1,1-Bis[[(beta-D-galactopyranosyl)oxy]methyl]-2-[(beta-D-galactopyranosyl)oxy]ethyl]amino]-2-oxoethyl]amino]-4-oxobutyryl]oxy]cholest-5-ene|N-[2-Oxo-2-[[1,1-bis[(beta-D-galactopyranosyloxy)methyl]-2-(beta-D-galactopyranosyloxy)ethyl]amino]ethyl]succinamidic acid cholest-5-en-3beta-yl ester

Molecular Formula	C55H92N2O22
Molecular Weight	1132.6141 g/mol
LogP	0.7
Topological Polar Surface Area	383.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	22
Rotatable Bonds	25
Exact Mass	1132.6141
Monoisotopic Mass	1132.6141
Heavy Atoms	79
Complexity	1940.0

Chemical Identifiers

CAS Number	91202-79-8
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)NCC(=O)NC(CO[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)(CO[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)CO[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C
InChIKey	ISCFDVIOYCQTEH-SXQGXBMZSA-N