GD123319

Name:

6-({4-[(3,4-dihydroxy-5-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-[(25-{[5-(dimethylamino)pentyl]carbamoyl}-5-hydroxy-13-oxopentacosan-4-yl)oxy]-5-hydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl acetate

Formula:

C61H106O24N2

Smiles:

CCCC(OC1OCC(O)C(OC2OCC(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C1OC1OCC(OC(C)=O)C(O)C1O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C

Aglycone:

CCCC(O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C

Sugarmoiety:

CC(=O)OC1COC(OC2C(O)OCC(O)C2OC2OCC(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0281971

AD49754

Formula: C33H66O4N2

Smiles:

CCCC(O)C(O)CCCCCCCC(=O)CCCCCCCCCCCCC(O)=NCCCCCN(C)C

HBA:	6	RingCount:	0
HBD:	3	FractionCSP3:	0.94
AlogP:	8.18	Num_rotatable_bonds:	30
MolWt:	554.9	Num_heavy_atoms:	39
TPSA:	93.36	NumAromaticRings:	0