GD154978

Name:

26-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-32-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-9-(methoxymethyl)-11,27,27,31-tetramethyl-18-oxo-17-azanonacyclo[22.7.1.0¹,²¹.0⁴,¹⁵.0⁵,¹⁹.0⁵,³¹.0⁸,¹⁵.0¹¹,¹⁶.0²⁸,³²]dotriaconta-3,13,20,22-tetraene-8-carboxylic acid

Formula:

C52H68O11N2

Smiles:

CCc1c[nH]cc1CCC12C3C=CC4=CC5C(O)=NC6C7(C)CC=CC68C6=CCC41C(C)(CCC2C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C3)C65CCC8(C(=O)O)C(COC)C7

Aglycone:

CCc1c[nH]cc1CCC12C3C=CC4=CC5C(O)=NC6C7(C)CC=CC68C6=CCC41C(C)(CCC2C(C)(C)C(O)C3)C65CCC8(C(=O)O)C(COC)C7

Sugarmoiety:

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

Other Identifiers

• CNP0329005

AD61512

Formula: C46H60O5N2

Smiles:

CCc1c[nH]cc1CCC12C3C=CC4=CC5C(O)=NC6C7(C)CC=CC68C6=CCC41C(C)(CCC2C(C)(C)C(O)C3)C65CCC8(C(=O)O)C(COC)C7

HBA:	7	RingCount:	10
HBD:	4	FractionCSP3:	0.7
AlogP:	8.57	Num_rotatable_bonds:	7
MolWt:	721.0	Num_heavy_atoms:	53
TPSA:	115.14	NumAromaticRings:	1