GD154023

Name:

4,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-{[3,4,5-tris(benzyloxy)-6-({2,2,6-trimethyl-4-[4-(2,2,2-trifluoroacetamido)phenoxy]-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl}oxy)oxan-2-yl]methoxy}oxan-3-yl benzoate

Formula:

C78H74O20NF3

Smiles:

CC1OC(Oc2ccc(NC(=O)C(F)(F)F)cc2)C2OC(C)(C)OC2C1OC1OC(COC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

Aglycone:

CC1OC(Oc2ccc(NC(=O)C(F)(F)F)cc2)C2OC(C)(C)OC2C1O.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:

OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0188835

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	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

AD00480

Formula: C8H8O2

Smiles:

COC(=O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.47	Num_rotatable_bonds:	1
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	26.3	NumAromaticRings:	1

AD61215

Formula: C17H20O6NF3

Smiles:

CC1OC(Oc2ccc(NC(=O)C(F)(F)F)cc2)C2OC(C)(C)OC2C1O

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.59
AlogP:	2.19	Num_rotatable_bonds:	3
MolWt:	391.34	Num_heavy_atoms:	27
TPSA:	86.25	NumAromaticRings:	1