GD133355

Name:

23-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-29-[(4-ethyl-1H-pyrrol-3-yl)methyl]-35-(3-hydroxypropyl)-11-(methoxymethyl)-9,24,24,32-tetramethyl-2-oxo-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:

C61H78O12N2

Smiles:

CCc1c[nH]cc1CC1C=CC2C3CC(CCCO)C45C=C6C=CC78CCC9C=C%10C%11%12C=CCC(C)(CC(COC)C%11(C(=O)O)CCC%104C3(C)C69C17C2C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C8)C%12N=C5O

Aglycone:

CCc1c[nH]cc1CC1C=CC2C3CC(CCCO)C45C=C6C=CC78CCC9C=C%10C%11%12C=CCC(C)(CC(COC)C%11(C(=O)O)CCC%104C3(C)C69C17C2C(C)(C)C(O)C8)C%12N=C5O

Sugarmoiety:

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

Other Identifiers

• CNP0090450

AD53978

Formula: C55H70O6N2

Smiles:

CCc1c[nH]cc1CC1C=CC2C3CC(CCCO)C45C=C6C=CC78CCC9C=C%10C%11%12C=CCC(C)(CC(COC)C%11(C(=O)O)CCC%104C3(C)C69C17C2C(C)(C)C(O)C8)C%12N=C5O

HBA:	8	RingCount:	13
HBD:	5	FractionCSP3:	0.71
AlogP:	9.37	Num_rotatable_bonds:	9
MolWt:	855.17	Num_heavy_atoms:	63
TPSA:	135.37	NumAromaticRings:	1