GD150891

Name:

benzyl N-{2-[(4-amino-6-{[(benzyloxy)carbonyl]amino}-2-({4-[(3-{[(benzyloxy)carbonyl]amino}-6-({[(benzyloxy)carbonyl]amino}methyl)-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-3-hydroxycyclohexyl)oxy]-5-hydroxy-6-(hydroxymethyl)oxan-3-yl}carbamate

Formula:

C61H79O26N5

Smiles:

NC1CC(N=C(O)OCc2ccccc2)C(OC2OC(CO)C(O)CC2N=C(O)OCc2ccccc2)C(OC2OC(CO)C(OC3OC(CN=C(O)OCc4ccccc4)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(O)OCc3ccccc3)C2O)C1O

Aglycone:

CN=C(O)OCc1ccccc1.N=C(O)OCc1ccccc1.NC1CC(N=C(O)OCc2ccccc2)C(OC2OC(CO)C(O)CC2N=C(O)OCc2ccccc2)C(O)C1O

Sugarmoiety:

OCC1OC(OC2C(O)OC(OC3C(CO)OC(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0184266

AD45578

Formula: C8H9O2N

Smiles:

N=C(O)OCc1ccccc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	1.7	Num_rotatable_bonds:	2
MolWt:	151.16	Num_heavy_atoms:	11
TPSA:	53.31	NumAromaticRings:	1

AD60229

Formula: C9H11O2N

Smiles:

CN=C(O)OCc1ccccc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	1.75	Num_rotatable_bonds:	2
MolWt:	165.19	Num_heavy_atoms:	12
TPSA:	41.82	NumAromaticRings:	1

AD60230

Formula: C28H37O10N3

Smiles:

NC1CC(N=C(O)OCc2ccccc2)C(OC2OC(CO)C(O)CC2N=C(O)OCc2ccccc2)C(O)C1O

HBA:	13	RingCount:	4
HBD:	8	FractionCSP3:	0.5
AlogP:	0.29	Num_rotatable_bonds:	9
MolWt:	575.62	Num_heavy_atoms:	41
TPSA:	209.04	NumAromaticRings:	2