GD119699

Name:

None

Formula:

C64H106O33S

Smiles:

CCC(C(=O)CC(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(OC1OC(C)C(O)C(OC2OCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O)C3O)C(C)C

Aglycone:

CCC(C(=O)CC(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(O)C3O)C(C)C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0442352

AD48006

Formula: C29H48O8S

Smiles:

CCC(C(=O)CC(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(O)C3O)C(C)C

HBA:	8	RingCount:	4
HBD:	4	FractionCSP3:	0.9
AlogP:	4.09	Num_rotatable_bonds:	8
MolWt:	556.76	Num_heavy_atoms:	38
TPSA:	141.36	NumAromaticRings:	0