GD138700

Name:

N-[6-({3-acetamido-5-[(4-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-1,4,5-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]acetamide

Formula:

C42H73O31N3

Smiles:

CC(O)=NC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)C(O)C1N=C(C)O

Aglycone:

CC(O)=NCCO

Sugarmoiety:

CC(O)=NC1C(OCC(O)C(O)C(O)OC2OC(CO)C(O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)C1O

Other Identifiers

• CNP0215644

AD45321

Formula: C4H9O2N

Smiles:

CC(O)=NCCO

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	-0.04	Num_rotatable_bonds:	2
MolWt:	103.12	Num_heavy_atoms:	7
TPSA:	52.82	NumAromaticRings:	0