GD126596

Name:

methyl 9-{[3,4,5-tris(acetyloxy)-6-({[4,5-bis(acetyloxy)-6-{[(diphenoxyphosphoryl)oxy]methyl}-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}nonanoate

Formula:

C58H77O30P

Smiles:

COC(=O)CCCCCCCCOC1OC(COC2OC(COP(=O)(Oc3ccccc3)Oc3ccccc3)C(OC(C)=O)C(OC(C)=O)C2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(=O)CCCCCCCCO.COC(C)=O.COP(=O)(Oc1ccccc1)Oc1ccccc1

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OCC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0395409

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

AD00933

Formula: C10H20O3

Smiles:

COC(=O)CCCCCCCCO

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.9
AlogP:	1.88	Num_rotatable_bonds:	8
MolWt:	188.27	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	0

AD44668

Formula: C13H13O4P

Smiles:

COP(=O)(Oc1ccccc1)Oc1ccccc1

HBA:	4	RingCount:	2
HBD:	0	FractionCSP3:	0.08
AlogP:	3.9	Num_rotatable_bonds:	5
MolWt:	264.22	Num_heavy_atoms:	18
TPSA:	44.76	NumAromaticRings:	2