GD139501

Name:

5-({5-[(4-amino-5-{[5-({4-amino-5-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-4,6-dimethyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-4,6-dimethyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-2-({4-amino-6-[(4-hydroxy-6-methoxy-2-methyloxan-3-yl)oxy]-2,4-dimethyloxan-3-yl}oxy)-6-methyloxane-3,4-diol

Formula:

C53H96O22N4

Smiles:

COC1CC(O)C(OC2CC(C)(N)C(OC3OC(C)C(OC4CC(O)C(OC5CC(C)(N)C(OC6CC(O)C(OC7CC(C)(N)C(OC8CC(C)(N)C(O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)C(C)O4)C(O)C3O)C(C)O2)C(C)O1

Aglycone:

CC1OC(O)CC(C)(N)C1O.CC1OC(O)CC(C)(N)C1O.CC1OC(OC2C(C)OC(O)CC2(C)N)CC(C)(N)C1O

Sugarmoiety:

CC1OC(O)CC(O)C1O.CC1OC(OC2C(C)OC(O)C(O)C2O)CC(O)C1O.COC1CC(O)C(O)C(C)O1

Other Identifiers

• CNP0159716

AD00183

Formula: C7H15O3N

Smiles:

CC1OC(O)CC(C)(N)C1O

HBA:	4	RingCount:	1
HBD:	4	FractionCSP3:	1.0
AlogP:	-0.81	Num_rotatable_bonds:	0
MolWt:	161.2	Num_heavy_atoms:	11
TPSA:	75.71	NumAromaticRings:	0

AD46472

Formula: C14H28O5N2

Smiles:

CC1OC(OC2C(C)OC(O)CC2(C)N)CC(C)(N)C1O

HBA:	7	RingCount:	2
HBD:	6	FractionCSP3:	1.0
AlogP:	-0.57	Num_rotatable_bonds:	2
MolWt:	304.39	Num_heavy_atoms:	21
TPSA:	120.19	NumAromaticRings:	0