GD123443

Name:

None

Formula:

C58H93O29N

Smiles:

CC(=O)OC1CC(COC2OC(CO)C(O)C(O)C2O)CNC12OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC=C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC(=O)OC1CC(CO)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.OC1=COC(O)C(O)C1O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0445935

AD03629

Formula: C29H47O5N

Smiles:

CC(=O)OC1CC(CO)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	3.88	Num_rotatable_bonds:	2
MolWt:	489.7	Num_heavy_atoms:	35
TPSA:	88.02	NumAromaticRings:	0

AD49819

Formula: C5H8O5

Smiles:

OC1=COC(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	4	FractionCSP3:	0.6
AlogP:	-1.54	Num_rotatable_bonds:	0
MolWt:	148.11	Num_heavy_atoms:	10
TPSA:	90.15	NumAromaticRings:	0