GD152019

Name:

2-{[2-({5-[(2-{[4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C43H67O28N5

Smiles:

CC(=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)COC1OC(CO)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O

Aglycone:

CC(=CCNc1ncnc2c1N=C[N]2)CO

Sugarmoiety:

OCC1OC(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4OC4OCC(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0003663

AD30330

Formula: C10H12ON5

Smiles:

CC(=CCNc1ncnc2c1N=C[N]2)CO

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.3
AlogP:	0.74	Num_rotatable_bonds:	4
MolWt:	218.24	Num_heavy_atoms:	16
TPSA:	84.5	NumAromaticRings:	1