GD116088

Name:

34-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-30-[(4-ethyl-1H-pyrrol-3-yl)methyl]-11-(methoxymethyl)-13,25,33,33-tetramethyl-20-oxo-19-azaundecacyclo[21.12.2.0¹,³¹.0⁴,²⁴.0⁶,¹⁷.0⁷,²¹.0⁷,²⁵.0¹⁰,¹⁷.0¹³,¹⁸.0²⁴,³¹.0²⁷,³²]heptatriaconta-5,15,22,28,36-pentaene-10-carboxylic acid

Formula:

C56H70O11N2

Smiles:

CCc1c[nH]cc1CC1C=CC2CC3(C)C45CCC6(C(=O)O)C(COC)CC7(C)CC=CC68C4=CC4CCC69C=CC(=CC5C(O)=NC78)C43C16C2C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C9

Aglycone:

CCc1c[nH]cc1CC1C=CC2CC3(C)C45CCC6(C(=O)O)C(COC)CC7(C)CC=CC68C4=CC4CCC69C=CC(=CC5C(O)=NC78)C43C16C2C(C)(C)C(O)C9

Sugarmoiety:

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

Other Identifiers

• CNP0355168

AD46043

Formula: C50H62O5N2

Smiles:

CCc1c[nH]cc1CC1C=CC2CC3(C)C45CCC6(C(=O)O)C(COC)CC7(C)CC=CC68C4=CC4CCC69C=CC(=CC5C(O)=NC78)C43C16C2C(C)(C)C(O)C9

HBA:	7	RingCount:	12
HBD:	4	FractionCSP3:	0.68
AlogP:	8.98	Num_rotatable_bonds:	6
MolWt:	771.06	Num_heavy_atoms:	57
TPSA:	115.14	NumAromaticRings:	1