GD141377

Name:

11'-amino-33'-(1,2-dihydroxyethyl)-35'-hydroxy-22'-(hydroxymethyl)-8'-(1H-imidazol-4-yl)-22',29',33',36'-tetramethyl-5'-oxo-34'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6'-azaspiro[cyclopentane-1,4'-heptacyclo[26.7.1.0³,⁷.0¹⁶,²⁵.0¹⁶,²⁹.0¹⁹,²⁴.0³²,³⁶]hexatriacontan]-25'-en-12'-yne-19'-carboxylic acid

Formula:

C55H82O12N4

Smiles:

CC1(CO)CCC2(C(=O)O)CCC34CCC#CC(N)CCC(c5cnc[nH]5)C5N=C(O)C6(CCCC6)C5CC5C(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C6CCC3(C)C(CC=C4C2C1)C56C

Aglycone:

CC1(CO)CCC2(C(=O)O)CCC34CCC#CC(N)CCC(c5cnc[nH]5)C5N=C(O)C6(CCCC6)C5CC5C(O)C(O)C(C)(C(O)CO)C6CCC3(C)C(CC=C4C2C1)C56C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0191266

AD56963

Formula: C50H74O8N4

Smiles:

CC1(CO)CCC2(C(=O)O)CCC34CCC#CC(N)CCC(c5cnc[nH]5)C5N=C(O)C6(CCCC6)C5CC5C(O)C(O)C(C)(C(O)CO)C6CCC3(C)C(CC=C4C2C1)C56C

HBA:	12	RingCount:	9
HBD:	10	FractionCSP3:	0.82
AlogP:	6.03	Num_rotatable_bonds:	5
MolWt:	859.16	Num_heavy_atoms:	62
TPSA:	225.74	NumAromaticRings:	1