GD157968

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-2-methyl-13-oxopentacosan-4-yl)oxy]-5-hydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl acetate

Formula:

C62H108O24N2

Smiles:

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

Aglycone:

CC(C)CC(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

• CNP0360108

AD46875

Formula: C34H68O4N2

Smiles:

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

HBA:	6	RingCount:	0
HBD:	3	FractionCSP3:	0.94
AlogP:	8.42	Num_rotatable_bonds:	30
MolWt:	568.93	Num_heavy_atoms:	40
TPSA:	93.36	NumAromaticRings:	0