GD004302

Name:

None

Formula:

C53H91O10N7

Smiles:

CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC)O[C@@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

Aglycone:

CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.COC(=O)C(CCCCN)NC=O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2435392
• CHEMBL3040549

AD00263

Formula: C16H32O2

Smiles:

CCCCCCCCCCCCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	5.55	Num_rotatable_bonds:	14
MolWt:	256.43	Num_heavy_atoms:	18
TPSA:	37.3	NumAromaticRings:	0

AD03777

Formula: C9H10O2N5

Smiles:

CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.33
AlogP:	0.27	Num_rotatable_bonds:	2
MolWt:	220.21	Num_heavy_atoms:	16
TPSA:	101.31	NumAromaticRings:	1

AD03778

Formula: C8H16O3N2

Smiles:

COC(=O)C(CCCCN)NC=O

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.75
AlogP:	-0.6	Num_rotatable_bonds:	7
MolWt:	188.23	Num_heavy_atoms:	13
TPSA:	81.42	NumAromaticRings:	0