GD139084

Name:

None

Formula:

C62H102O32S

Smiles:

CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OC(C)C(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OCC(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)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0460836

AD00012

Formula: C27H44O7S

Smiles:

CC(C)CC(=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:	4.48	Num_rotatable_bonds:	7
MolWt:	512.71	Num_heavy_atoms:	35
TPSA:	121.13	NumAromaticRings:	0