GD140442

Name:

None

Formula:

C64H106O33S

Smiles:

CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OC(C)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)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=CCC21C

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0462143

AD00003

Formula: C28H46O7S

Smiles:

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

HBA:	7	RingCount:	4
HBD:	3	FractionCSP3:	0.89
AlogP:	4.73	Num_rotatable_bonds:	7
MolWt:	526.74	Num_heavy_atoms:	36
TPSA:	121.13	NumAromaticRings:	0