GD132022

Name:

Woodwardinoside C

Formula:

C57H92O28

Smiles:

COC(C=CC(C)C)C(O)C(O)C(O)C=CCC1=CC(O)C(C(C)C=CC=C(C)C(O)CC=C(C)COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(C)C1=O

Aglycone:

C=CC(C)C.C=CCC1=CC(O)C(C(C)C=CC=C(C)C(O)CC=C(C)CO)C(C)C1=O

Sugarmoiety:

COC(O)C(O)C(O)C(O)O.OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0214409

AD00557

Formula: C5H10

Smiles:

C=CC(C)C

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.6
AlogP:	1.83	Num_rotatable_bonds:	1
MolWt:	70.13	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD53456

Formula: C23H34O4

Smiles:

C=CCC1=CC(O)C(C(C)C=CC=C(C)C(O)CC=C(C)CO)C(C)C1=O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.52
AlogP:	3.51	Num_rotatable_bonds:	9
MolWt:	374.52	Num_heavy_atoms:	27
TPSA:	77.76	NumAromaticRings:	0