GD122966

Name:

Gymnoside Viii

Formula:

C44H60O24

Smiles:

CCC(C)C(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)(OC1OC(COC(C)=O)C(O)C(OC(C)=O)C1O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1

Aglycone:

CCC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)C(O)OC(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0424367

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD47103

Formula: C22H26O7

Smiles:

CCC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.36
AlogP:	3.05	Num_rotatable_bonds:	9
MolWt:	402.44	Num_heavy_atoms:	29
TPSA:	113.29	NumAromaticRings:	2