GD157523

Name:

26-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-30-[(4-ethyl-1H-pyrrol-3-yl)methyl]-9-(methoxymethyl)-11,27,27,35-tetramethyl-18-oxo-17-azadecacyclo[19.14.0.0¹,²⁹.0⁴,¹⁵.0⁵,¹⁹.0⁵,³⁵.0⁸,¹⁵.0¹¹,¹⁶.0²⁴,²⁹.0²⁸,³³]pentatriaconta-3,13,20,22,31-pentaene-8-carboxylic acid

Formula:

C54H68O11N2

Smiles:

CCc1c[nH]cc1CC1C=CC2CC3(C)C45CCC6(C(=O)O)C(COC)CC7(C)CC=CC68C4=CCC34C(=CC5C(O)=NC78)C=CC3CC(OC5OC(C(=O)O)C(O)C(O)C5O)C(C)(C)C2C134

Aglycone:

CCc1c[nH]cc1CC1C=CC2CC3(C)C45CCC6(C(=O)O)C(COC)CC7(C)CC=CC68C4=CCC34C(=CC5C(O)=NC78)C=CC3CC(O)C(C)(C)C2C134

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0184416

AD62269

Formula: C48H60O5N2

Smiles:

CCc1c[nH]cc1CC1C=CC2CC3(C)C45CCC6(C(=O)O)C(COC)CC7(C)CC=CC68C4=CCC34C(=CC5C(O)=NC78)C=CC3CC(O)C(C)(C)C2C134

HBA:	7	RingCount:	11
HBD:	4	FractionCSP3:	0.67
AlogP:	8.59	Num_rotatable_bonds:	6
MolWt:	745.02	Num_heavy_atoms:	55
TPSA:	115.14	NumAromaticRings:	1