GD137451

Name:

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

Formula:

C48H67O27N

Smiles:

COC(=O)COCCOCCOC1OC(COC2OC(COC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(O)C(OCc2ccccc2)C1N=C(C)O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(O)OC(OC2C(O)OC(OCC3OC(O)C(N=C(C)O)C(O)C3O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0124897

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

AD55528

Formula: C7H14O5

Smiles:

COC(=O)COCCOCCO

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.86
AlogP:	-0.82	Num_rotatable_bonds:	7
MolWt:	178.18	Num_heavy_atoms:	12
TPSA:	64.99	NumAromaticRings:	0