GD141032

Name:

10-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-9-hydroxy-7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹⁵.0³,¹².0⁶,¹¹.0²⁰,²⁵]pentacos-14-ene-25-carboxylic acid

Formula:

C56H89O12N5

Smiles:

CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C43C)C12C)C(N)O

Aglycone:

CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C43C)C12C)C(N)O

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0088326

AD56847

Formula: C51H81O8N5

Smiles:

CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C43C)C12C)C(N)O

HBA:	13	RingCount:	9
HBD:	11	FractionCSP3:	0.86
AlogP:	5.93	Num_rotatable_bonds:	12
MolWt:	892.24	Num_heavy_atoms:	64
TPSA:	237.77	NumAromaticRings:	1