GD126524

Name:

26-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-29-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-14-(methoxymethyl)-12,27,27,31-tetramethyl-5-oxo-6-azanonacyclo[26.3.1.0⁴,¹⁸.0⁷,¹².0⁸,¹⁵.0⁸,¹⁹.0¹⁸,³¹.0²¹,³⁰.0²⁴,²⁹]dotriaconta-9,19-diene-15-carboxylic acid

Formula:

C52H72O11N2

Smiles:

CCc1c[nH]cc1CCC12C3CCC4C=C5C67C=CCC8(C)CC(COC)C6(C(=O)O)CCC56C(CCC(CC1C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C3)C6(C)C42)C(O)=NC87

Aglycone:

CCc1c[nH]cc1CCC12C3CCC4C=C5C67C=CCC8(C)CC(COC)C6(C(=O)O)CCC56C(CCC(CC1C(C)(C)C(O)C3)C6(C)C42)C(O)=NC87

Sugarmoiety:

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

Other Identifiers

• CNP0423679

AD51203

Formula: C46H64O5N2

Smiles:

CCc1c[nH]cc1CCC12C3CCC4C=C5C67C=CCC8(C)CC(COC)C6(C(=O)O)CCC56C(CCC(CC1C(C)(C)C(O)C3)C6(C)C42)C(O)=NC87

HBA:	7	RingCount:	10
HBD:	4	FractionCSP3:	0.78
AlogP:	8.73	Num_rotatable_bonds:	7
MolWt:	725.03	Num_heavy_atoms:	53
TPSA:	115.14	NumAromaticRings:	1