GD129772

Name:

None

Formula:

C63H104O32S

Smiles:

CC(C)C(C)C1OC1C(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(OC7OC(C)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)C1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3COC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0452091

AD03952

Formula: C28H46O7S

Smiles:

CC(C)C(C)C1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.53	Num_rotatable_bonds:	6
MolWt:	526.74	Num_heavy_atoms:	36
TPSA:	116.59	NumAromaticRings:	0