GD156083

Name:

30-[4-amino-2,4-dihydroxy-1-(1H-imidazol-4-yl)-3-({[2-(N'-methylcarbamimidamido)ethyl]amino}methyl)butyl]-34-hydroxy-15,36-bis(hydroxymethyl)-15,36,38,40-tetramethyl-28-oxo-35-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5,7,9,29-tetraazaundecacyclo[30.8.4.2³⁷,⁴⁰.0¹,¹⁸.0²,¹¹.0⁴,⁸.0¹²,¹⁷.0²⁰,³⁹.0²³,²⁷.0²⁷,³¹.0³³,³⁸]hexatetraconta-4(8),6,18-trien-21,43-diyne-12-carboxylic acid

Formula:

C66H95O13N11

Smiles:

CNC(=N)NCCNCC(C(N)O)C(O)C(c1cnc[nH]1)C1N=C(O)C23CCCC2C#CC2C=C4C5CC(C)(CO)CCC5(C(=O)O)C5CNc6[nH]cnc6CC5C45CCC#CC(C13)C1C(O)C(OC3OCC(O)C(O)C3O)C(C)(CO)C3CCC5(C)C2C13C

Aglycone:

CNC(=N)NCCNCC(C(N)O)C(O)C(c1cnc[nH]1)C1N=C(O)C23CCCC2C#CC2C=C4C5CC(C)(CO)CCC5(C(=O)O)C5CNc6[nH]cnc6CC5C45CCC#CC(C13)C1C(O)C(O)C(C)(CO)C3CCC5(C)C2C13C

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0136661

AD61840

Formula: C61H87O9N11

Smiles:

CNC(=N)NCCNCC(C(N)O)C(O)C(c1cnc[nH]1)C1N=C(O)C23CCCC2C#CC2C=C4C5CC(C)(CO)CCC5(C(=O)O)C5CNc6[nH]cnc6CC5C45CCC#CC(C13)C1C(O)C(O)C(C)(CO)C3CCC5(C)C2C13C

HBA:	20	RingCount:	12
HBD:	17	FractionCSP3:	0.75
AlogP:	2.69	Num_rotatable_bonds:	13
MolWt:	1118.43	Num_heavy_atoms:	81
TPSA:	346.62	NumAromaticRings:	2