GD153659

Name:

None

Formula:

C58H96O27S

Smiles:

CCC1OC(OC2C(C)OC(OC3C(O)C(CO)OC(OC4CC5C(=CCC6(C)C(C(C)CC(=O)CC(C)C)CCC56)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CCC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0474289

AD08065

Formula: C27H44O6S

Smiles:

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

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.89
AlogP:	5.37	Num_rotatable_bonds:	7
MolWt:	496.71	Num_heavy_atoms:	34
TPSA:	100.9	NumAromaticRings:	0