GD153267

Name:

Ligurobustoside K

Formula:

C31H46O14

Smiles:

CC(=CCOC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(OC2OC(C)C(O)C(O)C2O)C1O)CCC(O)C(C)(C)O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0328960

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

AD60840

Formula: C10H20O3

Smiles:

CC(=CCO)CCC(O)C(C)(C)O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.8
AlogP:	0.84	Num_rotatable_bonds:	5
MolWt:	188.27	Num_heavy_atoms:	13
TPSA:	60.69	NumAromaticRings:	0