GD125305

Name:

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

Formula:

C54H68O21N2

Smiles:

COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)C(OC(C)=O)C1N=C(C)O

Aglycone:

COC(C)=O.COC(C)=O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:

COC1OC(O)C(O)C(O)C1OC1OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)C(OC(C)=O)C1N=C(C)O

Other Identifiers

• CNP0335429

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

AD00042

Formula: C8H10O

Smiles:

COCc1ccccc1

HBA:	1	RingCount:	1
HBD:	0	FractionCSP3:	0.25
AlogP:	1.83	Num_rotatable_bonds:	2
MolWt:	122.17	Num_heavy_atoms:	9
TPSA:	9.23	NumAromaticRings:	1

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