GD114539

Name:

Synallactoside B1

Formula:

C67H106O31

Smiles:

C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(OC8OCC(O)C(OC)C8O)C7O)C(O)C6OC6OC(C)C(OC7OCC(O)C(OC8OC(CO)C(O)C(OC)C8O)C7O)C(O)C6O)CCC45C)C2(C)CCC13)OC(C)=O

Aglycone:

C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=O

Sugarmoiety:

COC1C(O)COC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(OC5OCC(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0119476

AD04151

Formula: C32H48O5

Smiles:

C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=O

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.81
AlogP:	6.54	Num_rotatable_bonds:	5
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0