Germinaline

[10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate

Also Known As: Germinaline|(10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo(12.12.0.02,11.04,9.015,25.018,23.019,25)hexacosan-22-yl) 3-acetyloxy-2-hydroxy-2-methylbutanoate|(1S,2R,6S,9S,10R,11S,12R,13S,14S,15R,16R,18S,19S,22R,23S,25R)-10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(((2R)-2-methylbutanoyl)oxy)-24-oxa-4-azaheptacyclo(12.12.0.0,.0,.0,.0,.0,)hexacosan-22-yl (2R,3R)-3-(acetyloxy)-2-hydroxy-2-methylbutanoic acid|(1S,2R,6S,9S,10R,11S,12R,13S,14S,15R,16R,18S,19S,22R,23S,25R)-10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-{[(2R)-2-methylbutanoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0,.0,.0,.0,.0,]hexacosan-22-yl (2R,3R)-3-(acetyloxy)-2-hydroxy-2-methylbutanoic acid|[10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate

Molecular Formula	C39H61NO13
Molecular Weight	751.4143 g/mol
LogP	1.0364
Topological Polar Surface Area	212.75 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	751.4143
Monoisotopic Mass	751.4143
Heavy Atoms	53
Complexity	1504.8076

Chemical Identifiers

CAS Number	23211-84-9
SMILES	CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)OC(=O)C)O)O)C)O)O)O