GD126130

Name:

2,2,2-trichloroethyl N-[4-(benzyloxy)-6-[(benzyloxy)methyl]-2-{[3,4-bis(benzyloxy)-5-[3-(benzyloxy)tetradecanamido]-6-(prop-2-en-1-yloxy)oxan-2-yl]methoxy}-5-{[bis(benzyloxy)phosphoryl]oxy}oxan-3-yl]carbamate

Formula:

C84H98O16N2PCl3

Smiles:

C=CCOC1OC(COC2OC(COCc3ccccc3)C(OP(=O)(OCc3ccccc3)OCc3ccccc3)C(OCc3ccccc3)C2N=C(O)OCC(Cl)(Cl)Cl)C(OCc2ccccc2)C(OCc2ccccc2)C1N=C(O)CC(CCCCCCCCCCC)OCc1ccccc1

Aglycone:

CCCCCCCCCCCC(CC(=N)O)OCc1ccccc1.COCc1ccccc1.N=C(O)OCC(Cl)(Cl)Cl.O=P(O)(OCc1ccccc1)OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:

C=CCOC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0248853

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

AD07135

Formula: C14H15O4P

Smiles:

O=P(O)(OCc1ccccc1)OCc1ccccc1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.14
AlogP:	3.52	Num_rotatable_bonds:	6
MolWt:	278.24	Num_heavy_atoms:	19
TPSA:	55.76	NumAromaticRings:	2

AD51019

Formula: C21H35O2N

Smiles:

CCCCCCCCCCCC(CC(=N)O)OCc1ccccc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.67
AlogP:	6.42	Num_rotatable_bonds:	15
MolWt:	333.52	Num_heavy_atoms:	24
TPSA:	53.31	NumAromaticRings:	1

AD51020

Formula: C6H4O2NCl3

Smiles:

N=C(O)OCC(Cl)(Cl)Cl

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	1.87	Num_rotatable_bonds:	1
MolWt:	192.43	Num_heavy_atoms:	9
TPSA:	53.31	NumAromaticRings:	0