GD135589

Name:

23-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-26-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-11-(methoxymethyl)-9,24,24,28-tetramethyl-2-oxo-31-pentyl-3-azaundecacyclo[19.10.4.1²⁵,²⁹.0¹,¹⁵.0⁴,⁹.0⁵,¹².0⁵,¹⁶.0¹⁵,²⁸.0¹⁸,²⁷.0²¹,²⁶.0²⁷,³³]hexatriaconta-6,16,32,34-tetraene-12-carboxylic acid

Formula:

C61H82O11N2

Smiles:

CCCCCC1CC2CC3C(C)(C)C(OC4OC(C(=O)O)C(O)C(O)C4O)CC45C=CC6=CC17C(O)=NC1C8(C)CC=CC19C1=CC(CC4)C6(C2(C)C17CCC9(C(=O)O)C(COC)C8)C35CCc1c[nH]cc1CC

Aglycone:

CCCCCC1CC2CC3C(C)(C)C(O)CC45C=CC6=CC17C(O)=NC1C8(C)CC=CC19C1=CC(CC4)C6(C2(C)C17CCC9(C(=O)O)C(COC)C8)C35CCc1c[nH]cc1CC

Sugarmoiety:

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

Other Identifiers

• CNP0384255

AD54825

Formula: C55H74O5N2

Smiles:

CCCCCC1CC2CC3C(C)(C)C(O)CC45C=CC6=CC17C(O)=NC1C8(C)CC=CC19C1=CC(CC4)C6(C2(C)C17CCC9(C(=O)O)C(COC)C8)C35CCc1c[nH]cc1CC

HBA:	7	RingCount:	12
HBD:	4	FractionCSP3:	0.75
AlogP:	11.16	Num_rotatable_bonds:	11
MolWt:	843.21	Num_heavy_atoms:	62
TPSA:	115.14	NumAromaticRings:	1