GD144752

Name:

30-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-34-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-11-(methoxymethyl)-13,25,29,29-tetramethyl-20-oxo-19-azadecacyclo[21.8.2.1¹,²⁴.0⁴,²⁴.0⁶,¹⁷.0⁷,²¹.0⁷,²⁵.0¹⁰,¹⁷.0¹³,¹⁸.0²⁸,³⁴]tetratriaconta-5,15,22,32-tetraene-10-carboxylic acid

Formula:

C54H70O11N2

Smiles:

CCc1c[nH]cc1CCC12C3CCC4(C)C56CCC7(C(=O)O)C(COC)CC8(C)CC=CC79C5=CC5CCC1(C=CC(=CC6C(O)=NC89)C542)CC(OC1OC(C(=O)O)C(O)C(O)C1O)C3(C)C

Aglycone:

CCc1c[nH]cc1CCC12C3CCC4(C)C56CCC7(C(=O)O)C(COC)CC8(C)CC=CC79C5=CC5CCC1(C=CC(=CC6C(O)=NC89)C542)CC(O)C3(C)C

Sugarmoiety:

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

Other Identifiers

• CNP0124198

AD58144

Formula: C48H62O5N2

Smiles:

CCc1c[nH]cc1CCC12C3CCC4(C)C56CCC7(C(=O)O)C(COC)CC8(C)CC=CC79C5=CC5CCC1(C=CC(=CC6C(O)=NC89)C542)CC(O)C3(C)C

HBA:	7	RingCount:	11
HBD:	4	FractionCSP3:	0.71
AlogP:	8.96	Num_rotatable_bonds:	7
MolWt:	747.03	Num_heavy_atoms:	55
TPSA:	115.14	NumAromaticRings:	1