GD146421

Name:

None

Formula:

C92H132O34NCl

Smiles:

C#CC#CCCC(O)C(O)C(O)C(O)C(O)CC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CC1OC(C2OC3CCC(C4OC5C(O)CC(CC(O)C6CCC7OC(C8CCC9OC%10CC%11OC%12CCC(C=CC=CCC(N)CC=CC=CC#CCCC#CC=CCl)OC%12CC%11OC%10CC(O)C9O8)C(C)CC7O6)OC5CC4O)OC3C(O)C2O)C(O)C(O)C1O

Aglycone:

C#CC#CCC.CC(O)C(O)C(C)O.CC1CC2OC(C(O)CC3CC(O)C4OC(C5CCC6OCC(O)C(O)C6O5)C(O)CC4O3)CCC2OC1C1CCC2OC3CC4OC5CCC(C=CC=CCC(N)CC=CC=CC#CCCC#CC=CCl)OC5CC4OC3CC(O)C2O1

Sugarmoiety:

OCC1OC(OC(C(O)COO)C(O)CC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OO

Other Identifiers

• CNP0434159

AD45875

Formula: C5H12O3

Smiles:

CC(O)C(O)C(C)O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.89	Num_rotatable_bonds:	2
MolWt:	120.15	Num_heavy_atoms:	8
TPSA:	60.69	NumAromaticRings:	0

AD58714

Formula: C6H6

Smiles:

C#CC#CCC

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.33
AlogP:	1.03	Num_rotatable_bonds:	0
MolWt:	78.11	Num_heavy_atoms:	6
TPSA:	0.0	NumAromaticRings:	0

AD58715

Formula: C65H90O17NCl

Smiles:

CC1CC2OC(C(O)CC3CC(O)C4OC(C5CCC6OCC(O)C(O)C6O5)C(O)CC4O3)CCC2OC1C1CCC2OC3CC4OC5CCC(C=CC=CCC(N)CC=CC=CC#CCCC#CC=CCl)OC5CC4OC3CC(O)C2O1

HBA:	18	RingCount:	11
HBD:	8	FractionCSP3:	0.78
AlogP:	4.58	Num_rotatable_bonds:	13
MolWt:	1180.87	Num_heavy_atoms:	83
TPSA:	248.93	NumAromaticRings:	0