GD142561

Name:

23-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-29-[(4-ethyl-1H-pyrrol-3-yl)methyl]-11-(methoxymethyl)-9,24,24,32-tetramethyl-2-oxo-35-pentyl-3-azadodecacyclo[19.14.4.0¹,¹⁵.0⁴,⁹.0⁵,¹².0⁵,¹⁶.0¹⁵,³².0¹⁸,³¹.0²¹,³⁰.0²⁵,³⁰.0²⁶,³³.0³¹,³⁷]nonatriaconta-6,16,27,36,38-pentaene-12-carboxylic acid

Formula:

C63H82O11N2

Smiles:

CCCCCC1CC2C3C=CC(Cc4c[nH]cc4CC)C45C3C(C)(C)C(OC3OC(C(=O)O)C(O)C(O)C3O)CC43C=CC4=CC16C(O)=NC1C7(C)CC=CC18C1=CC(CC3)C45C2(C)C16CCC8(C(=O)O)C(COC)C7

Aglycone:

CCCCCC1CC2C3C=CC(Cc4c[nH]cc4CC)C45C3C(C)(C)C(O)CC43C=CC4=CC16C(O)=NC1C7(C)CC=CC18C1=CC(CC3)C45C2(C)C16CCC8(C(=O)O)C(COC)C7

Sugarmoiety:

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

Other Identifiers

• CNP0353930

AD57363

Formula: C57H74O5N2

Smiles:

CCCCCC1CC2C3C=CC(Cc4c[nH]cc4CC)C45C3C(C)(C)C(O)CC43C=CC4=CC16C(O)=NC1C7(C)CC=CC18C1=CC(CC3)C45C2(C)C16CCC8(C(=O)O)C(COC)C7

HBA:	7	RingCount:	13
HBD:	4	FractionCSP3:	0.72
AlogP:	11.18	Num_rotatable_bonds:	10
MolWt:	867.23	Num_heavy_atoms:	64
TPSA:	115.14	NumAromaticRings:	1