GD124196

Name:

k‐563

Formula:

C32H60O14N6P2

Smiles:

CC(C)CCCCCCCCCCCN(C)OP(=O)(O)N(CC(=N)O)P(=O)(O)OC1CC(O)C(CO)=C1OCC1OC(N2CCC(=N)N=C2O)C(O)C1O

Aglycone:

COC1=C(CO)C(O)CC1OP(=O)(O)N(CC(=N)O)P(=O)(O)ON(C)CCCCCCCCCCCC(C)C.N=C1CCNC(O)=N1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CNP0429209

AD49136

Formula: C4H7ON3

Smiles:

N=C1CCNC(O)=N1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.5
AlogP:	-0.13	Num_rotatable_bonds:	0
MolWt:	113.12	Num_heavy_atoms:	8
TPSA:	68.47	NumAromaticRings:	0

AD50156

Formula: C24H49O10N3P2

Smiles:

COC1=C(CO)C(O)CC1OP(=O)(O)N(CC(=N)O)P(=O)(O)ON(C)CCCCCCCCCCCC(C)C

HBA:	13	RingCount:	1
HBD:	6	FractionCSP3:	0.88
AlogP:	4.49	Num_rotatable_bonds:	22
MolWt:	601.62	Num_heavy_atoms:	39
TPSA:	193.31	NumAromaticRings:	0