GD129278

Name:

None

Formula:

C61H100O30S

Smiles:

CC(C)C1CC1C(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Aglycone:

CC(C)C1CC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0451589

AD52376

Formula: C27H44O6S

Smiles:

CC(C)C1CC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.77	Num_rotatable_bonds:	5
MolWt:	496.71	Num_heavy_atoms:	34
TPSA:	104.06	NumAromaticRings:	0