ST086272 N-[(1E)-2-(7-{8-[(1E)-2-(adamantanylcarbonylamino)-2-azavinyl]-1,6,7-trihydrox y-3-methyl-5-(methylethyl)(2-naphthyl)}-2,3,8-trihydroxy-6-methyl-4-(methyleth yl)naphthyl)-1-azavinyl]adamantanylcarboxamide

Formula: C52H62N4O8

MW: 871.09

MDL:

TNP:

LogP: 1.31

LogS: -3.21

Acceptors: 8

Donors: 8

Rotation Bonds: 13

Chiral Centers: 0

N+O: 12

LIPINSKY: 2

IUPAC: N-[(1E)-2-(7-{8-[(1E)-2-(adamantanylcarbonylamino)-2-azavinyl]-1,6,7-trihydrox y-3-methyl-5-(methylethyl)(2-naphthyl)}-2,3,8-trihydroxy-6-methyl-4-(methyleth yl)naphthyl)-1-azavinyl]adamantanylcarboxamide

Smiles: c1(c2c(c3c(/C=N\NC(=O)C45CC6CC(CC(C6)C5)C4)c(O)c(c(c3cc2C)C(C)C)O)O)c(c2c(/C=N\NC(=O)C34CC5CC(CC(C5)C4)C3)c(O)c(c(c2cc1C)C(C)C)O)O

Chemical Compounds - Natural Compounds