GD115021

Name:

[3,4-bis(acetyloxy)-6-{[4,5-bis(benzyloxy)-6-({[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}methyl)-2-hydroxyoxan-3-yl]oxy}-5-acetamidooxan-2-yl]methyl acetate

Formula:

C48H62O22N2

Smiles:

CC(=O)OCC1OC(OCC2OC(O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(OCc3ccccc3)C2OCc2ccccc2)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:

CC(=O)OC1C(O)OC(OCC2OC(O)C(OC3OC(O)C(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(O)C2O)C(N=C(C)O)C1OC(C)=O

Other Identifiers

• CNP0154978

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1