GD138713

Name:

30-[4-amino-2,4-dihydroxy-1-(1H-imidazol-4-yl)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:

C61H83O13N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3C#CC4CCCC45C(O)=NC(C(c4cnc[nH]4)C(O)CC(N)O)C5C4C#CCCC1(C1Cc5nc[nH]c5NCC12)C1(C)CCC2C(C)(CO)C(OC5OCC(O)C(O)C5O)C(O)C4C2(C)C31

Aglycone:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3C#CC4CCCC45C(O)=NC(C(c4cnc[nH]4)C(O)CC(N)O)C5C4C#CCCC1(C1Cc5nc[nH]c5NCC12)C1(C)CCC2C(C)(CO)C(O)C(O)C4C2(C)C31

Sugarmoiety:

OC1COC(O)C(O)C1O

Other Identifiers

• CNP0190394

AD55961

Formula: C56H75O9N7

Smiles:

CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3C#CC4CCCC45C(O)=NC(C(c4cnc[nH]4)C(O)CC(N)O)C5C4C#CCCC1(C1Cc5nc[nH]c5NCC12)C1(C)CCC2C(C)(CO)C(O)C(O)C4C2(C)C31

HBA:	16	RingCount:	12
HBD:	13	FractionCSP3:	0.75
AlogP:	4.13	Num_rotatable_bonds:	8
MolWt:	990.26	Num_heavy_atoms:	72
TPSA:	286.68	NumAromaticRings:	2