GD138646

Name:

None

Formula:

C49H78O26S

Smiles:

CC(=O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

Aglycone:

CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

Sugarmoiety:

CC1OC(OC2C(OC3COC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0460416

AD03115

Formula: C21H32O6S

Smiles:

CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.86
AlogP:	3.31	Num_rotatable_bonds:	3
MolWt:	412.55	Num_heavy_atoms:	28
TPSA:	100.9	NumAromaticRings:	0