GD132383

Name:

Globuloside A

Formula:

C42H50O21

Smiles:

CC(=O)OCC1=C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)OC3C(O)C(CO)OC(OC4OC=CC5C(O)C6OC6(COC(=O)C=Cc6ccccc6)C45)C3O)C2CC1

Aglycone:

CC(=O)OCC1=C2C(O)OC=C(C(=O)O)C2CC1.O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0425038

AD02680

Formula: C18H18O6

Smiles:

O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.39
AlogP:	0.85	Num_rotatable_bonds:	4
MolWt:	330.34	Num_heavy_atoms:	24
TPSA:	88.52	NumAromaticRings:	1

AD52156

Formula: C12H14O6

Smiles:

CC(=O)OCC1=C2C(O)OC=C(C(=O)O)C2CC1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.5
AlogP:	0.57	Num_rotatable_bonds:	3
MolWt:	254.24	Num_heavy_atoms:	18
TPSA:	93.06	NumAromaticRings:	0