GD152835

Name:

Ligurobustoside J

Formula:

C37H54O16

Smiles:

CC(C)=CCCC(C)=CCOC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C1O

Aglycone:

CC(C)=CCCC(C)=CCO.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0426467

AD00021

Formula: C9H8O3

Smiles:

O=C(O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.49	Num_rotatable_bonds:	2
MolWt:	164.16	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	1

AD04659

Formula: C10H18O

Smiles:

CC(C)=CCCC(C)=CCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	2.67	Num_rotatable_bonds:	4
MolWt:	154.25	Num_heavy_atoms:	11
TPSA:	20.23	NumAromaticRings:	0