GD141041

Name:

2-oxo-2-phenylethyl 2,17,18-tris(acetyloxy)-22-{[4,5-bis(acetyloxy)-3-{[4,5-bis(acetyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}hexacosanoate

Formula:

C72H106O31

Smiles:

CCCCC(CCCC(OC(C)=O)C(CCCCCCCCCCCCCCC(OC(C)=O)C(=O)OCC(=O)c1ccccc1)OC(C)=O)OC1OCC(OC(C)=O)C(OC(C)=O)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CCCCC(O)CCCC(OC(C)=O)C(CCCCCCCCCCCCCCC(OC(C)=O)C(=O)OCC(=O)c1ccccc1)OC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OC3C(O)OCOC3OC(C)=O)OCC(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0184413

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

AD56853

Formula: C40H64O10

Smiles:

CCCCC(O)CCCC(OC(C)=O)C(CCCCCCCCCCCCCCC(OC(C)=O)C(=O)OCC(=O)c1ccccc1)OC(C)=O

HBA:	10	RingCount:	1
HBD:	1	FractionCSP3:	0.72
AlogP:	8.39	Num_rotatable_bonds:	30
MolWt:	704.94	Num_heavy_atoms:	50
TPSA:	142.5	NumAromaticRings:	1