GD148416

Name:

20-({3-[4-amino-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-19-hydroxy-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰.0¹⁶,²³]tetracos-11-ene-5-carboxylic acid

Formula:

C52H81O11N5

Smiles:

CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C3C45C)C2C1

Aglycone:

CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C3C45C)C2C1

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0118433

AD59392

Formula: C47H73O7N5

Smiles:

CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C3C45C)C2C1

HBA:	12	RingCount:	9
HBD:	10	FractionCSP3:	0.85
AlogP:	5.48	Num_rotatable_bonds:	10
MolWt:	820.13	Num_heavy_atoms:	59
TPSA:	217.54	NumAromaticRings:	1