GD140678

Name:

methyl 3,4,5-tris(acetyloxy)-6-{[5-(benzyloxy)-6-[(benzyloxy)methyl]-2-methoxy-4-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}oxane-2-carboxylate

Formula:

C61H70O19

Smiles:

COC(=O)C1OC(OC2C(OC)OC(COCc3ccccc3)C(OCc3ccccc3)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:

COC(=O)C1OC(OC2C(OC)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0402312

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