GD130768

Name:

9-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-19-(methoxymethyl)-6,10,10,14,21-pentamethyl-15-(3-oxopropyl)-26-azaoctacyclo[15.7.3.2⁴,⁷.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²¹,²⁵]nonacosa-2,23-diene-18-carboxylic acid

Formula:

C45H65O11N

Smiles:

COCC1CC2(C)CC=CC34C5=CC6CCC7CC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(C)C8CCC(C)(C6C78C)C5(CCC=O)CC(CNC23)C14C(=O)O

Aglycone:

COCC1CC2(C)CC=CC34C5=CC6CCC7CC(O)C(C)(C)C8CCC(C)(C6C78C)C5(CCC=O)CC(CNC23)C14C(=O)O

Sugarmoiety:

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

Other Identifiers

• CNP0152527

AD52986

Formula: C39H57O5N

Smiles:

COCC1CC2(C)CC=CC34C5=CC6CCC7CC(O)C(C)(C)C8CCC(C)(C6C78C)C5(CCC=O)CC(CNC23)C14C(=O)O

HBA:	6	RingCount:	8
HBD:	3	FractionCSP3:	0.85
AlogP:	6.43	Num_rotatable_bonds:	6
MolWt:	619.89	Num_heavy_atoms:	45
TPSA:	95.86	NumAromaticRings:	0